N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide

C17H19FN4O4 — CID 54677504

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(C2COCCN2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C17H19FN4O4/c1-22-15(12-9-26-7-6-19-12)21-13(14(23)17(22)25)16(24)20-8-10-2-4-11(18)5-3-10/h2-5,12,19,23H,6-9H2,1H3,(H,20,24)
InChIKeyFAQIGTGQCLFKIU-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.22
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide (PubChem CID 54677504) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide
PubChem CID54677504
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(C2COCCN2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C17H19FN4O4/c1-22-15(12-9-26-7-6-19-12)21-13(14(23)17(22)25)16(24)20-8-10-2-4-11(18)5-3-10/h2-5,12,19,23H,6-9H2,1H3,(H,20,24)
InChIKeyFAQIGTGQCLFKIU-UHFFFAOYSA-N
XLogP0.22
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide (CID 54677504) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide is Cn1c(C2COCCN2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide?
The InChIKey is FAQIGTGQCLFKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-22-15(12-9-26-7-6-19-12)21-13(14(23)17(22)25)16(24)20-8-10-2-4-11(18)5-3-10/h2-5,12,19,23H,6-9H2,1H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).