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

C14H15N5O2 — CID 82070728

IUPAC4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile
SMILESCOc1ccc(Nc2nc(C)c(C#N)c(N)n2)cc1OC
InChIInChI=1S/C14H15N5O2/c1-8-10(7-15)13(16)19-14(17-8)18-9-4-5-11(20-2)12(6-9)21-3/h4-6H,1-3H3,(H3,16,17,18,19)
InChIKeyOZSRNBKTUXFIOW-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.00
Rot. Bonds4

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

4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile (PubChem CID 82070728) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile
PubChem CID82070728
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile
SMILESCOc1ccc(Nc2nc(C)c(C#N)c(N)n2)cc1OC
InChIInChI=1S/C14H15N5O2/c1-8-10(7-15)13(16)19-14(17-8)18-9-4-5-11(20-2)12(6-9)21-3/h4-6H,1-3H3,(H3,16,17,18,19)
InChIKeyOZSRNBKTUXFIOW-UHFFFAOYSA-N
XLogP2.00
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one
CID 135789850
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
2-(3,4-dimethoxyanilino)-4-(1,3-thiazol-2-yl)pyrimidine-5-carbonitrile
CID 18517032
4-[[4-amino-6-(4-cyanoanilino)-1,3,5-triazin-2-yl]oxy]-3-methoxybenzonitrile
CID 505506
2-(3,4-dimethoxyanilino)benzene-1,3-dicarbonitrile
CID 133498340
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile (CID 82070728) is 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile is COc1ccc(Nc2nc(C)c(C#N)c(N)n2)cc1OC.
What is the InChIKey of 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is OZSRNBKTUXFIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-10(7-15)13(16)19-14(17-8)18-9-4-5-11(20-2)12(6-9)21-3/h4-6H,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile?
4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 82070728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).