6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one

C12H11ClFN3O — CID 59160614

IUPAC6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one
SMILESCN(Cc1ccc(Cl)cc1)c1[nH]c(=O)ncc1F
InChIInChI=1S/C12H11ClFN3O/c1-17(7-8-2-4-9(13)5-3-8)11-10(14)6-15-12(18)16-11/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyFZQJMCBPYODNBY-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.20
Rot. Bonds3

About 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one

6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one (PubChem CID 59160614) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one
PubChem CID59160614
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one
SMILESCN(Cc1ccc(Cl)cc1)c1[nH]c(=O)ncc1F
InChIInChI=1S/C12H11ClFN3O/c1-17(7-8-2-4-9(13)5-3-8)11-10(14)6-15-12(18)16-11/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyFZQJMCBPYODNBY-UHFFFAOYSA-N
XLogP2.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one (CID 59160614) is 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one is CN(Cc1ccc(Cl)cc1)c1[nH]c(=O)ncc1F.
What is the InChIKey of 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is FZQJMCBPYODNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-17(7-8-2-4-9(13)5-3-8)11-10(14)6-15-12(18)16-11/h2-6H,7H2,1H3,(H,15,16,18).
What are the key properties of 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one?
6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 267.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl-methylamino]-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 59160614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).