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

C19H23FN4O4 — CID 54677506

IUPAC2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C19H23FN4O4/c1-3-24-8-9-28-11-14(24)17-22-15(16(25)19(27)23(17)2)18(26)21-10-12-4-6-13(20)7-5-12/h4-7,14,25H,3,8-11H2,1-2H3,(H,21,26)
InChIKeyBPIDGVSXOXALBF-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.95
Rot. Bonds5

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

2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54677506) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID54677506
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Name2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C19H23FN4O4/c1-3-24-8-9-28-11-14(24)17-22-15(16(25)19(27)23(17)2)18(26)21-10-12-4-6-13(20)7-5-12/h4-7,14,25H,3,8-11H2,1-2H3,(H,21,26)
InChIKeyBPIDGVSXOXALBF-UHFFFAOYSA-N
XLogP0.95
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54677506) is 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is CCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C.
What is the InChIKey of 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is BPIDGVSXOXALBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-3-24-8-9-28-11-14(24)17-22-15(16(25)19(27)23(17)2)18(26)21-10-12-4-6-13(20)7-5-12/h4-7,14,25H,3,8-11H2,1-2H3,(H,21,26).
What are the key properties of 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).