2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile

C14H14N4O — CID 115143461

IUPAC2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile
SMILESCCCc1ccc(Nc2cc(C#N)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N4O/c1-2-3-10-4-6-11(7-5-10)16-13-8-12(9-15)17-14(19)18-13/h4-8H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyRLACAVAHOUARNJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.34
Rot. Bonds4

About 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile

2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile (PubChem CID 115143461) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile
PubChem CID115143461
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile
SMILESCCCc1ccc(Nc2cc(C#N)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N4O/c1-2-3-10-4-6-11(7-5-10)16-13-8-12(9-15)17-14(19)18-13/h4-8H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyRLACAVAHOUARNJ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143658
4-(N-methyl-4-propylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143529
4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143457
4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143482
4-(4-propylanilino)pyridine-2-carbonitrile
CID 62924957
3-bromo-5-(4-propylanilino)benzonitrile
CID 102815352
4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143518
4-[(2,5-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143589
4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143508
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
6-N-(4-propylphenyl)pyridine-2,3,6-triamine
CID 79827008
4-[2-(4-bromothiophen-2-yl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143668

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile (CID 115143461) is 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile is CCCc1ccc(Nc2cc(C#N)[nH]c(=O)n2)cc1.
What is the InChIKey of 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile?
The InChIKey is RLACAVAHOUARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-3-10-4-6-11(7-5-10)16-13-8-12(9-15)17-14(19)18-13/h4-8H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile?
2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).