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

C18H21ClN4O4 — CID 54677520

IUPACN-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2cccc(Cl)c2)c(O)c(=O)n1C
InChIInChI=1S/C18H21ClN4O4/c1-22-6-7-27-10-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-9-11-4-3-5-12(19)8-11/h3-5,8,13,24H,6-7,9-10H2,1-2H3,(H,20,25)
InChIKeyWOVUHDKMENHZFR-UHFFFAOYSA-N
MW392.84 g/mol
LogP1.07
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54677520) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54677520
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC NameN-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2cccc(Cl)c2)c(O)c(=O)n1C
InChIInChI=1S/C18H21ClN4O4/c1-22-6-7-27-10-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-9-11-4-3-5-12(19)8-11/h3-5,8,13,24H,6-7,9-10H2,1-2H3,(H,20,25)
InChIKeyWOVUHDKMENHZFR-UHFFFAOYSA-N
XLogP1.07
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (CID 54677520) is N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is CN1CCOCC1c1nc(C(=O)NCc2cccc(Cl)c2)c(O)c(=O)n1C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is WOVUHDKMENHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c1-22-6-7-27-10-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-9-11-4-3-5-12(19)8-11/h3-5,8,13,24H,6-7,9-10H2,1-2H3,(H,20,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).