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

C14H14FN3O3 — CID 54738494

IUPAC2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(Cc2ccc(F)cc2)n(C)c(=O)c1O
InChIInChI=1S/C14H14FN3O3/c1-16-13(20)11-12(19)14(21)18(2)10(17-11)7-8-3-5-9(15)6-4-8/h3-6,19H,7H2,1-2H3,(H,16,20)
InChIKeyCSLAYQPCODEDRC-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.58
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54738494) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide
PubChem CID54738494
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(Cc2ccc(F)cc2)n(C)c(=O)c1O
InChIInChI=1S/C14H14FN3O3/c1-16-13(20)11-12(19)14(21)18(2)10(17-11)7-8-3-5-9(15)6-4-8/h3-6,19H,7H2,1-2H3,(H,16,20)
InChIKeyCSLAYQPCODEDRC-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.58
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-N,1-dimethyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide (CID 54738494) is 2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide is CNC(=O)c1nc(Cc2ccc(F)cc2)n(C)c(=O)c1O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is CSLAYQPCODEDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-16-13(20)11-12(19)14(21)18(2)10(17-11)7-8-3-5-9(15)6-4-8/h3-6,19H,7H2,1-2H3,(H,16,20).
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide?
2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 0.58, 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-N,1-dimethyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54738494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).