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

C5H4ClFN2O — CID 137205814

IUPAC2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)[nH]c(=O)c1F
InChIInChI=1S/C5H4ClFN2O/c1-2-3(7)4(10)9-5(6)8-2/h1H3,(H,8,9,10)
InChIKeyHQAIFTLBPHGXGO-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.87
Rot. Bonds

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

2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 137205814) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID137205814
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)[nH]c(=O)c1F
InChIInChI=1S/C5H4ClFN2O/c1-2-3(7)4(10)9-5(6)8-2/h1H3,(H,8,9,10)
InChIKeyHQAIFTLBPHGXGO-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

2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
5-Fluoro-6-methylpyrimidin-4-ol
CID 135435246
5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
2-Chloro-6-ethyl-5-fluoropyrimidin-4(3H)-one
CID 135552953
2-Chloro-6-methylpyrimidin-4(1H)-one
CID 135667626
5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one
CID 170192665
5-bromo-2-chloro-6-methyl-4(3H)-Pyrimidinone
CID 135409924
2-chloro-5,6-dimethyl-3H-pyrimidin-4-one
CID 135667619
ammonia; 2-chloro-6-ethyl-5-fluoro-1H-pyrimidin-4-one
CID 135932814
2-Chloro-6-ethyl-5-fluoro4-hydroxypyrimidine, ammonium salt
CID 137178918
5-Fluoro-6-methylpyrimidin-4-ol hydrochloride
CID 135743641
5-Amino-2-chloro-6-methylpyrimidin-4-ol
CID 136867442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 137205814) is 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(Cl)[nH]c(=O)c1F.
What is the InChIKey of 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HQAIFTLBPHGXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c1-2-3(7)4(10)9-5(6)8-2/h1H3,(H,8,9,10).
What are the key properties of 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-chloro-5-fluoro-4-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 2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137205814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).