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4-(2-Chloropyridin-3-yl)pyrimidin-2-amine

HCID 53396335
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
870221-49-1
Standard SMILES
Nc1nccc(-c2cccnc2Cl)n1
InChIKey
DKCVVHMYFZBDAK-UHFFFAOYSA-N
Molecular formula
C9H7ClN4
Average molar mass
206.63 g/mol
Monoisotopic mass
206.0359239

Names & identifiers

Preferred name
4-(2-Chloropyridin-3-yl)pyrimidin-2-amine
IUPAC
4-(2-chloro-3-pyridinyl)pyrimidin-2-amine
English name
4-(2-Chloropyridin-3-yl)pyrimidin-2-amine
Molecular formula
C9H7ClN4
Molecular weight
206.63

Names & synonyms

4-(2-chloropyridin-3-yl)pyrimidin-2-amine870221-49-1DTXSID70694258RefChem:287181DTXCID10645007MFCD181576874-(2-Chloro-pyridin-3-yl)-pyrimidin-2-ylamineSCHEMBL503736DKCVVHMYFZBDAK-UHFFFAOYSA-NAKOS015851075NE-0721DA-01885
Show more names
2-Pyrimidinamine, 4-(2-chloro-3-pyridinyl)-
4-(2-Chloro-3-pyridinyl)-2-pyrimidinamineCS-0314498F471426

Database identifiers

CAS
870221-49-1
PubChem CID
53396335
DTXSID
DTXSID70694258
EC Number
804-621-5

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
64.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
190

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HazardClass
IRRITANT
HS Code
2933399990 · 2933399990

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesIt is used as primary and secondary intermediate.

Suppliers7 total

宁波振岳医药科技有限公司19817745290 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

18 records
New reaction record
HRID 227748 reaction equation
HRID 227748As productuspto-grants-2009_07
HRID 227765 reaction equation
HRID 227765As reactantuspto-grants-2009_07
HRID 252645 reaction equation
HRID 252645As reactantuspto-grants-2011_01
HRID 294593 reaction equation
HRID 294593As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 446299 reaction equation
HRID 446299As productuspto-grants-2013_07
HRID 446301 reaction equation
HRID 446301As reactantuspto-grants-2013_07
HRID 593923 reaction equation
HRID 593923As productuspto-grants-2016_01
HRID 593940 reaction equation
HRID 593940As reactantuspto-grants-2016_01
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Compound notes

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