N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide

C19H23FN4O4 — CID 54677529

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1cc(CNC(=O)c2nc(C3COCCN3C)n(C)c(=O)c2O)ccc1F
InChIInChI=1S/C19H23FN4O4/c1-11-8-12(4-5-13(11)20)9-21-18(26)15-16(25)19(27)24(3)17(22-15)14-10-28-7-6-23(14)2/h4-5,8,14,25H,6-7,9-10H2,1-3H3,(H,21,26)
InChIKeyZLEJGMIGIZTIGO-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.87
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54677529) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54677529
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1cc(CNC(=O)c2nc(C3COCCN3C)n(C)c(=O)c2O)ccc1F
InChIInChI=1S/C19H23FN4O4/c1-11-8-12(4-5-13(11)20)9-21-18(26)15-16(25)19(27)24(3)17(22-15)14-10-28-7-6-23(14)2/h4-5,8,14,25H,6-7,9-10H2,1-3H3,(H,21,26)
InChIKeyZLEJGMIGIZTIGO-UHFFFAOYSA-N
XLogP0.87
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (CID 54677529) is N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is Cc1cc(CNC(=O)c2nc(C3COCCN3C)n(C)c(=O)c2O)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is ZLEJGMIGIZTIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-11-8-12(4-5-13(11)20)9-21-18(26)15-16(25)19(27)24(3)17(22-15)14-10-28-7-6-23(14)2/h4-5,8,14,25H,6-7,9-10H2,1-3H3,(H,21,26).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).