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

C23H23FN4O4 — CID 54711757

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C23H23FN4O4/c1-27-21(17-4-2-3-5-18(17)28-10-12-32-13-11-28)26-19(20(29)23(27)31)22(30)25-14-15-6-8-16(24)9-7-15/h2-9,29H,10-14H2,1H3,(H,25,30)
InChIKeyXTFVECRTPCVZNQ-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.06
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54711757) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
PubChem CID54711757
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C23H23FN4O4/c1-27-21(17-4-2-3-5-18(17)28-10-12-32-13-11-28)26-19(20(29)23(27)31)22(30)25-14-15-6-8-16(24)9-7-15/h2-9,29H,10-14H2,1H3,(H,25,30)
InChIKeyXTFVECRTPCVZNQ-UHFFFAOYSA-N
XLogP2.06
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
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-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide (CID 54711757) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide is Cn1c(-c2ccccc2N2CCOCC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is XTFVECRTPCVZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-27-21(17-4-2-3-5-18(17)28-10-12-32-13-11-28)26-19(20(29)23(27)31)22(30)25-14-15-6-8-16(24)9-7-15/h2-9,29H,10-14H2,1H3,(H,25,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 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-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54711757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).