6-Fluoropyrimidine-2,4-diamine

HCID 352545
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Basic information

CAS
696-83-3
Standard SMILES
Nc1cc(F)nc(N)n1
InChIKey
BOVQRQCKNKKBOR-UHFFFAOYSA-N
Molecular formula
C4H5FN4
Average molar mass
128.11 g/mol
Monoisotopic mass
128.04982438

Names & identifiers

Preferred name
6-Fluoropyrimidine-2,4-diamine
IUPAC
6-fluoropyrimidine-2,4-diamine
English name
2,4-Diamino-6-fluoropyrimidine
Molecular formula
C4H5FN4
Molecular weight
128.11

Names & synonyms

6-fluoropyrimidine-2,4-diamine696-83-32,4-Diamino-6-fluoropyrimidineMFCD00219492NSC527000SCHEMBL17458015DTXSID70326320STK368792AKOS005444159NSC-527000SB57245AS-60115
Show more names
2,4-Diamino-6-fluoropyrimidinee6-FLUORO-PYRIMIDINE-2,4-DIAMINE2,4-PyriMidinediaMine,6-fluoro-(2-amino-6-fluoro-pyrimidin-4-yl)amine2,4-Pyrimidinediamine, 6-fluoro- (9CI)2,4-DIAMINO-6-FLUOROPYRIMIDINE ISO 9001：2015 REACH
AMY141SY114118DB-0198702,4-diamino-6-fluoropyrimidine, AldrichCPRCS-0157308ST50938740F11639F411962

Database identifiers

CAS
696-83-3
PubChem CID
352545
DTXSID
DTXSID70326320
Nikkaji
J2.136.486J

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
77.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Boiling point
408.1 · 408.1±48.0 °C(Predicted)
Density
1.513 · 1.513±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
3.13 · 3.13±0.10(Predicted)
Appearance
White to off-white Solid
CAS DataBase Reference
696 · 696-83-3(CAS DataBase Reference)

Safety & regulation

Safety data

risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers33 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉誉祥医药科技有限公司13971275651
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

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Compound notes

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