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

C11H6BrFN4O — CID 115143494

IUPAC4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESN#Cc1cc(Nc2cc(Br)ccc2F)nc(=O)[nH]1
InChIInChI=1S/C11H6BrFN4O/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)
InChIKeyBSQWATHGHMLZKF-UHFFFAOYSA-N
MW309.10 g/mol
LogP2.29
Rot. Bonds2

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

4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143494) has the molecular formula C11H6BrFN4O and a molecular weight of 309.10 g/mol. Its IUPAC name is 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143494
Molecular FormulaC11H6BrFN4O
Molecular Weight309.10 g/mol
Exact Mass307.97
IUPAC Name4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESN#Cc1cc(Nc2cc(Br)ccc2F)nc(=O)[nH]1
InChIInChI=1S/C11H6BrFN4O/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)
InChIKeyBSQWATHGHMLZKF-UHFFFAOYSA-N
XLogP2.29
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143482
4-[(2,5-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143589
4-[(2,4-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143591
N-(5-bromo-2-fluorophenyl)-6-fluoropyridin-2-amine
CID 61229571
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
2-[[6-(5-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]acetonitrile
CID 115264792
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile
CID 80509315
2-N-(5-bromo-2-fluorophenyl)pyrazine-2,6-diamine
CID 80647110
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143494) is 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is N#Cc1cc(Nc2cc(Br)ccc2F)nc(=O)[nH]1.
What is the InChIKey of 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is BSQWATHGHMLZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4O/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-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 309.10 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).