3-(2,4-Dimethoxy-pyrimidin-5-yl)-pyridine-2-carbonitrile

HCID 58994232
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Basic information

CAS
952403-03-1
Standard SMILES
COc1ncc(-c2cccnc2C#N)c(OC)n1
InChIKey
SAHRIZGJAFYOJE-UHFFFAOYSA-N
Molecular formula
C12H10N4O2
Average molar mass
242.23 g/mol
Monoisotopic mass
242.08037556

Names & identifiers

Preferred name
3-(2,4-Dimethoxy-pyrimidin-5-yl)-pyridine-2-carbonitrile
IUPAC
3-(2,4-dimethoxypyrimidin-5-yl)pyridine-2-carbonitrile

Names & synonyms

952403-03-1SCHEMBL35576933-(2,4-Dimethoxy-pyrimidin-5-yl)-pyridine-2-carbonitrileSAHRIZGJAFYOJE-UHFFFAOYSA-NDTXSID6012097243-(2,4-Dimethoxy-5-pyrimidinyl)-2-pyridinecarbonitrile3-(2,4-dimethoxypyrimidin-5-yl)pyridine-2-carbonitrile

Database identifiers

CAS
952403-03-1
PubChem CID
58994232
DTXSID
DTXSID601209724

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
80.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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