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

C17H14FN3O4 — CID 54685900

IUPACN-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2ccco2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C17H14FN3O4/c1-21-15(12-3-2-8-25-12)20-13(14(22)17(21)24)16(23)19-9-10-4-6-11(18)7-5-10/h2-8,22H,9H2,1H3,(H,19,23)
InChIKeyYEDQLHZXLKIEDR-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.82
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54685900) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID54685900
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2ccco2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C17H14FN3O4/c1-21-15(12-3-2-8-25-12)20-13(14(22)17(21)24)16(23)19-9-10-4-6-11(18)7-5-10/h2-8,22H,9H2,1H3,(H,19,23)
InChIKeyYEDQLHZXLKIEDR-UHFFFAOYSA-N
XLogP1.82
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54685900) is N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is Cn1c(-c2ccco2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is YEDQLHZXLKIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-21-15(12-3-2-8-25-12)20-13(14(22)17(21)24)16(23)19-9-10-4-6-11(18)7-5-10/h2-8,22H,9H2,1H3,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54685900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).