4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile

C12H9FN4O2 — CID 115143457

IUPAC4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)[nH]c(=O)n2)cc1F
InChIInChI=1S/C12H9FN4O2/c1-19-10-3-2-7(4-9(10)13)15-11-5-8(6-14)16-12(18)17-11/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyGYLKNFZVFJBGER-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.53
Rot. Bonds3

About 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile

4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143457) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143457
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)[nH]c(=O)n2)cc1F
InChIInChI=1S/C12H9FN4O2/c1-19-10-3-2-7(4-9(10)13)15-11-5-8(6-14)16-12(18)17-11/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyGYLKNFZVFJBGER-UHFFFAOYSA-N
XLogP1.53
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143482
4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143494
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
4-[(2,5-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143589
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80779473
4-N-(3-fluoro-4-methoxyphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80771186
2-(3-fluoro-4-methoxyanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741489
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
4-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114901444
5-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114890463

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143457) is 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is COc1ccc(Nc2cc(C#N)[nH]c(=O)n2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is GYLKNFZVFJBGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-19-10-3-2-7(4-9(10)13)15-11-5-8(6-14)16-12(18)17-11/h2-5H,1H3,(H2,15,16,17,18).
What are the key properties of 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 260.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).