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

C5H6FN3O — CID 170192665

IUPAC5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(F)[nH]c(=O)c1N
InChIInChI=1S/C5H6FN3O/c1-2-3(7)4(10)9-5(6)8-2/h7H2,1H3,(H,8,9,10)
InChIKeyBMQFPLFKSPQYII-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.20
Rot. Bonds

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

5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 170192665) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID170192665
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(F)[nH]c(=O)c1N
InChIInChI=1S/C5H6FN3O/c1-2-3(7)4(10)9-5(6)8-2/h7H2,1H3,(H,8,9,10)
InChIKeyBMQFPLFKSPQYII-UHFFFAOYSA-N
XLogP-0.20
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
5-Amino-6-methylpyrimidin-4(1H)-one
CID 135464047
2,5-Diamino-6-methylpyrimidin-4(1h)-one
CID 135491050
5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
4,5-diamino-2-fluoro-1H-pyrimidin-6-one
CID 145259514
2-chloro-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 137205814
5-amino-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 144715322
2-amino-4-methyl-6-oxo-1H-pyrimidine-5-diazonium
CID 136760117
5-Amino-2-chloro-6-methylpyrimidin-4-ol
CID 136867442

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one (CID 170192665) is 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(F)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BMQFPLFKSPQYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-2-3(7)4(10)9-5(6)8-2/h7H2,1H3,(H,8,9,10).
What are the key properties of 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one?
5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 143.12 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 170192665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).