4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile

C11H6ClFN4O — CID 115143482

IUPAC4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)ccc2F)nc(=O)[nH]1
InChIInChI=1S/C11H6ClFN4O/c12-6-1-2-8(13)9(3-6)16-10-4-7(5-14)15-11(18)17-10/h1-4H,(H2,15,16,17,18)
InChIKeyVSEOQTUAUYSRKJ-UHFFFAOYSA-N
MW264.65 g/mol
LogP2.18
Rot. Bonds2

About 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile

4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143482) has the molecular formula C11H6ClFN4O and a molecular weight of 264.65 g/mol. Its IUPAC name is 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143482
Molecular FormulaC11H6ClFN4O
Molecular Weight264.65 g/mol
Exact Mass264.02
IUPAC Name4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)ccc2F)nc(=O)[nH]1
InChIInChI=1S/C11H6ClFN4O/c12-6-1-2-8(13)9(3-6)16-10-4-7(5-14)15-11(18)17-10/h1-4H,(H2,15,16,17,18)
InChIKeyVSEOQTUAUYSRKJ-UHFFFAOYSA-N
XLogP2.18
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143494
4-[(2,5-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143589
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
4-(3-fluoro-4-methoxyanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143457
4-[(2,4-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143591
2-oxo-4-(4-propylanilino)-1H-pyrimidine-6-carbonitrile
CID 115143461
6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
CID 114070545
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143658
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143508

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143482) is 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is N#Cc1cc(Nc2cc(Cl)ccc2F)nc(=O)[nH]1.
What is the InChIKey of 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is VSEOQTUAUYSRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O/c12-6-1-2-8(13)9(3-6)16-10-4-7(5-14)15-11(18)17-10/h1-4H,(H2,15,16,17,18).
What are the key properties of 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 264.65 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).