2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile

C13H12N4O — CID 110383534

IUPAC2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCOc1cccc(Nc2nc(C)cc(C#N)n2)c1
InChIInChI=1S/C13H12N4O/c1-9-6-11(8-14)17-13(15-9)16-10-4-3-5-12(7-10)18-2/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGCVOGGJMWSIVQR-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.41
Rot. Bonds3

About 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile

2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 110383534) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
PubChem CID110383534
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
SMILESCOc1cccc(Nc2nc(C)cc(C#N)n2)c1
InChIInChI=1S/C13H12N4O/c1-9-6-11(8-14)17-13(15-9)16-10-4-3-5-12(7-10)18-2/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGCVOGGJMWSIVQR-UHFFFAOYSA-N
XLogP2.41
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543373
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544919
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928423
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544878
4-N-(2,5-dimethylphenyl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928074
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile (CID 110383534) is 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile is COc1cccc(Nc2nc(C)cc(C#N)n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is GCVOGGJMWSIVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-6-11(8-14)17-13(15-9)16-10-4-3-5-12(7-10)18-2/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile?
2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 110383534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).