2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile

C15H16N4O — CID 115143611

IUPAC2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile
SMILESCc1ccc(CNc2cc(C#N)[nH]c(=O)n2)c(C)c1C
InChIInChI=1S/C15H16N4O/c1-9-4-5-12(11(3)10(9)2)8-17-14-6-13(7-16)18-15(20)19-14/h4-6H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyLANANNBJFQTTLN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.18
Rot. Bonds3

About 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile

2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile (PubChem CID 115143611) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile
PubChem CID115143611
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile
SMILESCc1ccc(CNc2cc(C#N)[nH]c(=O)n2)c(C)c1C
InChIInChI=1S/C15H16N4O/c1-9-4-5-12(11(3)10(9)2)8-17-14-6-13(7-16)18-15(20)19-14/h4-6H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyLANANNBJFQTTLN-UHFFFAOYSA-N
XLogP2.18
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile (CID 115143611) is 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile is Cc1ccc(CNc2cc(C#N)[nH]c(=O)n2)c(C)c1C.
What is the InChIKey of 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile?
The InChIKey is LANANNBJFQTTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-4-5-12(11(3)10(9)2)8-17-14-6-13(7-16)18-15(20)19-14/h4-6H,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile?
2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).