6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile

C13H12N4O — CID 115142693

IUPAC6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)ncn2)cc1C
InChIInChI=1S/C13H12N4O/c1-9-5-10(3-4-12(9)18-2)17-13-6-11(7-14)15-8-16-13/h3-6,8H,1-2H3,(H,15,16,17)
InChIKeyOSZUKDNBCXKMRR-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.41
Rot. Bonds3

About 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile

6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile (PubChem CID 115142693) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile
PubChem CID115142693
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)ncn2)cc1C
InChIInChI=1S/C13H12N4O/c1-9-5-10(3-4-12(9)18-2)17-13-6-11(7-14)15-8-16-13/h3-6,8H,1-2H3,(H,15,16,17)
InChIKeyOSZUKDNBCXKMRR-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

4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 133353807
[6-(3-bromo-4-methoxyanilino)pyrimidin-4-yl]-methylcyanamide
CID 115266011
6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142939
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
6-N,5-diethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80783685
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
CID 133392258
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
CID 115143180
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862591

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile (CID 115142693) is 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile is COc1ccc(Nc2cc(C#N)ncn2)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile?
The InChIKey is OSZUKDNBCXKMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-5-10(3-4-12(9)18-2)17-13-6-11(7-14)15-8-16-13/h3-6,8H,1-2H3,(H,15,16,17).
What are the key properties of 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile?
6-(4-methoxy-3-methylanilino)pyrimidine-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 6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).