4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one

C5H4ClFN2O — CID 135638420

IUPAC4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(F)c(=O)[nH]1
InChIInChI=1S/C5H4ClFN2O/c1-2-8-4(6)3(7)5(10)9-2/h1H3,(H,8,9,10)
InChIKeyQFCQSVPKPHYVRD-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.87
Rot. Bonds

About 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one

4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one (PubChem CID 135638420) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one
PubChem CID135638420
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(F)c(=O)[nH]1
InChIInChI=1S/C5H4ClFN2O/c1-2-8-4(6)3(7)5(10)9-2/h1H3,(H,8,9,10)
InChIKeyQFCQSVPKPHYVRD-UHFFFAOYSA-N
XLogP0.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-2,5-dimethylpyrimidin-4-ol
CID 135538365
6-Chloro-2-Methyl-4-Pyrimidinol
CID 135459509
6-Chloro-2-methylpyrimidin-4-ol hydrochloride
CID 135689646
5-Fluoro-2,6-dimethylpyrimidin-4(1h)-one
CID 135416969
2-(Chloromethyl)-5-fluoro-6-methyl-3,4-dihydropyrimidin-4-one
CID 136288316
4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 137273170
4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 137274255
4-chloro-2-methyl-1H-pyrimidin-3-ium-6-one chloride
CID 135006921
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136076214
5-Fluoro-2-methylpyrimidine-4,6-diol
CID 233895
6-amino-5-fluoro-2-methyl-1H-pyrimidin-4-one
CID 135415817
4(3H)-Pyrimidinone, 6-fluoro-2-methyl-(8CI)
CID 135618098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one (CID 135638420) is 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one is Cc1nc(Cl)c(F)c(=O)[nH]1.
What is the InChIKey of 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QFCQSVPKPHYVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c1-2-8-4(6)3(7)5(10)9-2/h1H3,(H,8,9,10).
What are the key properties of 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one?
4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one has a molecular weight of 162.55 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135638420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).