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

C18H21FN4O4 — CID 136610821

IUPACN-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(CO)c(=O)[nH]1
InChIInChI=1S/C18H21FN4O4/c1-23-6-7-27-10-14(23)16-21-15(13(9-24)17(25)22-16)18(26)20-8-11-2-4-12(19)5-3-11/h2-5,14,24H,6-10H2,1H3,(H,20,26)(H,21,22,25)
InChIKeyWGFIBKNKVVZLLK-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.33
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136610821) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136610821
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(CO)c(=O)[nH]1
InChIInChI=1S/C18H21FN4O4/c1-23-6-7-27-10-14(23)16-21-15(13(9-24)17(25)22-16)18(26)20-8-11-2-4-12(19)5-3-11/h2-5,14,24H,6-10H2,1H3,(H,20,26)(H,21,22,25)
InChIKeyWGFIBKNKVVZLLK-UHFFFAOYSA-N
XLogP0.33
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylsulfamoyl)-4-fluorophenyl]methyl]-5-(hydroxymethyl)-6-oxo-2-(oxolan-3-yl)-1H-pyrimidine-4-carboxamide
CID 136629103
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 54677530
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(morpholin-4-ylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598712
N-[(3-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 54677524
4-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]piperidine-1-carboxylic acid
CID 136658860
butyl 3-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]morpholine-4-carboxylate
CID 70791341
2-(1-acetylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601585
tert-butyl 1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate;tert-butyl 2-(4-methylmorpholin-3-yl)-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 158356940
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide
CID 135602005
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135602038
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
5-ethyl-2-(3-fluorocyclobut-2-en-1-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1H-imidazole-4-carboxamide
CID 118944778

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136610821) is N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(CO)c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is WGFIBKNKVVZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-23-6-7-27-10-14(23)16-21-15(13(9-24)17(25)22-16)18(26)20-8-11-2-4-12(19)5-3-11/h2-5,14,24H,6-10H2,1H3,(H,20,26)(H,21,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 0.33, 5 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-(hydroxymethyl)-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136610821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).