4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile

C14H14N4O — CID 115143637

IUPAC4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCc1ccccc1CN(C)c1cc(C#N)[nH]c(=O)n1
InChIInChI=1S/C14H14N4O/c1-10-5-3-4-6-11(10)9-18(2)13-7-12(8-15)16-14(19)17-13/h3-7H,9H2,1-2H3,(H,16,17,19)
InChIKeyJNRKKJCZVWFTGA-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.59
Rot. Bonds3

About 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile

4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143637) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143637
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCc1ccccc1CN(C)c1cc(C#N)[nH]c(=O)n1
InChIInChI=1S/C14H14N4O/c1-10-5-3-4-6-11(10)9-18(2)13-7-12(8-15)16-14(19)17-13/h3-7H,9H2,1-2H3,(H,16,17,19)
InChIKeyJNRKKJCZVWFTGA-UHFFFAOYSA-N
XLogP1.59
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143627
4-[(3,4-dimethylphenyl)methyl-methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143626
4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143512
4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143689
2-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 62481777
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143652
4-(N-methyl-4-propylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143529
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile
CID 115143611
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
CID 63753001
4-[1,3-benzoxazol-6-yl(methyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143543

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143637) is 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile is Cc1ccccc1CN(C)c1cc(C#N)[nH]c(=O)n1.
What is the InChIKey of 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is JNRKKJCZVWFTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-5-3-4-6-11(10)9-18(2)13-7-12(8-15)16-14(19)17-13/h3-7H,9H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).