2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

C13H12FN3O3 — CID 54711993

IUPAC2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(Cc2ccc(F)cc2)nc(C(N)=O)c(O)c1=O
InChIInChI=1S/C13H12FN3O3/c1-17-9(6-7-2-4-8(14)5-3-7)16-10(12(15)19)11(18)13(17)20/h2-5,18H,6H2,1H3,(H2,15,19)
InChIKeyCJIRPTUBGZLLPM-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.31
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54711993) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID54711993
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(Cc2ccc(F)cc2)nc(C(N)=O)c(O)c1=O
InChIInChI=1S/C13H12FN3O3/c1-17-9(6-7-2-4-8(14)5-3-7)16-10(12(15)19)11(18)13(17)20/h2-5,18H,6H2,1H3,(H2,15,19)
InChIKeyCJIRPTUBGZLLPM-UHFFFAOYSA-N
XLogP0.31
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54711993) is 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is Cn1c(Cc2ccc(F)cc2)nc(C(N)=O)c(O)c1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is CJIRPTUBGZLLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-17-9(6-7-2-4-8(14)5-3-7)16-10(12(15)19)11(18)13(17)20/h2-5,18H,6H2,1H3,(H2,15,19).
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54711993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).