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

C14H14N4O — CID 115143658

IUPAC4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCc1ccc(CCNc2cc(C#N)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N4O/c1-10-2-4-11(5-3-10)6-7-16-13-8-12(9-15)17-14(19)18-13/h2-5,8H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyHXYHZTZOKKRVDH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.60
Rot. Bonds4

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

4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143658) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143658
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCc1ccc(CCNc2cc(C#N)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N4O/c1-10-2-4-11(5-3-10)6-7-16-13-8-12(9-15)17-14(19)18-13/h2-5,8H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyHXYHZTZOKKRVDH-UHFFFAOYSA-N
XLogP1.60
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile
CID 115143461
2-oxo-4-[(2,3,4-trimethylphenyl)methylamino]-1H-pyrimidine-6-carbonitrile
CID 115143611
4-[2-(4-bromothiophen-2-yl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143668
[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
CID 115264702
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
4-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143627
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143457
4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143518
4-[[4-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112920828
3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 165040146

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143658) is 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile is Cc1ccc(CCNc2cc(C#N)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is HXYHZTZOKKRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-2-4-11(5-3-10)6-7-16-13-8-12(9-15)17-14(19)18-13/h2-5,8H,6-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile?
4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).