N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C17H19FN4O4 — CID 135446231

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C17H19FN4O4/c1-22-6-7-26-9-12(22)15-20-13(14(23)17(25)21-15)16(24)19-8-10-2-4-11(18)5-3-10/h2-5,12,23H,6-9H2,1H3,(H,19,24)(H,20,21,25)
InChIKeyBGXZYEOFLCTRQZ-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.55
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135446231) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135446231
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C17H19FN4O4/c1-22-6-7-26-9-12(22)15-20-13(14(23)17(25)21-15)16(24)19-8-10-2-4-11(18)5-3-10/h2-5,12,23H,6-9H2,1H3,(H,19,24)(H,20,21,25)
InChIKeyBGXZYEOFLCTRQZ-UHFFFAOYSA-N
XLogP0.55
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-methylpyrimidine-4-carboxamide
CID 135602046
N-Me-pyrimidone deriv., 24
CID 54677473
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677477
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)morpholine-4-carboxylate
CID 54677508
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methanesulfonyl-1-methylpiperazin-2-yl)-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677514
2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677537
2-(4-benzoyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677544
2-(1,4-dimethylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54677551
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-methylpiperazine-1-carboxylate
CID 54677553
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677593

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 135446231) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is BGXZYEOFLCTRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-22-6-7-26-9-12(22)15-20-13(14(23)17(25)21-15)16(24)19-8-10-2-4-11(18)5-3-10/h2-5,12,23H,6-9H2,1H3,(H,19,24)(H,20,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).