4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile

C14H14N4O2 — CID 116646948

IUPAC4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(C)c(C#N)c(N)n2)cc1OC
InChIInChI=1S/C14H14N4O2/c1-8-10(7-15)13(16)18-14(17-8)9-4-5-11(19-2)12(6-9)20-3/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyZKYVNXSPTDNFHW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.92
Rot. Bonds3

About 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile

4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile (PubChem CID 116646948) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
PubChem CID116646948
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(C)c(C#N)c(N)n2)cc1OC
InChIInChI=1S/C14H14N4O2/c1-8-10(7-15)13(16)18-14(17-8)9-4-5-11(19-2)12(6-9)20-3/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyZKYVNXSPTDNFHW-UHFFFAOYSA-N
XLogP1.92
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329
4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile
CID 82070728
2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7114169

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile (CID 116646948) is 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile is COc1ccc(-c2nc(C)c(C#N)c(N)n2)cc1OC.
What is the InChIKey of 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is ZKYVNXSPTDNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-10(7-15)13(16)18-14(17-8)9-4-5-11(19-2)12(6-9)20-3/h4-6H,1-3H3,(H2,16,17,18).
What are the key properties of 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116646948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).