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

C18H22N4O4 — CID 54677515

IUPACN-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccccc2)c(O)c(=O)n1C
InChIInChI=1S/C18H22N4O4/c1-21-8-9-26-11-13(21)16-20-14(15(23)18(25)22(16)2)17(24)19-10-12-6-4-3-5-7-12/h3-7,13,23H,8-11H2,1-2H3,(H,19,24)
InChIKeyFWLYUGRHEREYSM-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.42
Rot. Bonds4

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

N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54677515) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54677515
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCc2ccccc2)c(O)c(=O)n1C
InChIInChI=1S/C18H22N4O4/c1-21-8-9-26-11-13(21)16-20-14(15(23)18(25)22(16)2)17(24)19-10-12-6-4-3-5-7-12/h3-7,13,23H,8-11H2,1-2H3,(H,19,24)
InChIKeyFWLYUGRHEREYSM-UHFFFAOYSA-N
XLogP0.42
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (CID 54677515) is N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is CN1CCOCC1c1nc(C(=O)NCc2ccccc2)c(O)c(=O)n1C.
What is the InChIKey of N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is FWLYUGRHEREYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21-8-9-26-11-13(21)16-20-14(15(23)18(25)22(16)2)17(24)19-10-12-6-4-3-5-7-12/h3-7,13,23H,8-11H2,1-2H3,(H,19,24).
What are the key properties of N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).