5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide

C19H24N4O4 — CID 54677516

IUPAC5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C
InChIInChI=1S/C19H24N4O4/c1-22-10-11-27-12-14(22)17-21-15(16(24)19(26)23(17)2)18(25)20-9-8-13-6-4-3-5-7-13/h3-7,14,24H,8-12H2,1-2H3,(H,20,25)
InChIKeyGMLDZTNBPDTBBL-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.46
Rot. Bonds5

About 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide

5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 54677516) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID54677516
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCN1CCOCC1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C
InChIInChI=1S/C19H24N4O4/c1-22-10-11-27-12-14(22)17-21-15(16(24)19(26)23(17)2)18(25)20-9-8-13-6-4-3-5-7-13/h3-7,14,24H,8-12H2,1-2H3,(H,20,25)
InChIKeyGMLDZTNBPDTBBL-UHFFFAOYSA-N
XLogP0.46
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 54677477
CID 54677477
CID 54677504
CID 54677504
CID 54677508
CID 54677508
CID 54677537
CID 54677537
CID 54677551
CID 54677551
CID 54677553
CID 54677553
CID 54677580
CID 54677580
CID 54677595
CID 54677595
CID 54682231
CID 54682231
CID 54682232
CID 54682232
CID 54682233
CID 54682233
CID 54682238
CID 54682238

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 54677516) is 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide is CN1CCOCC1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C.
What is the InChIKey of 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is GMLDZTNBPDTBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-22-10-11-27-12-14(22)17-21-15(16(24)19(26)23(17)2)18(25)20-9-8-13-6-4-3-5-7-13/h3-7,14,24H,8-12H2,1-2H3,(H,20,25).
What are the key properties of 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide?
5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54677516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).