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

C19H24N4O4 — CID 54677517

IUPACN-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc(C2COCCN2C)n(C)c(=O)c1O
InChIInChI=1S/C19H24N4O4/c1-21-9-10-27-12-14(21)17-20-15(16(24)19(26)23(17)3)18(25)22(2)11-13-7-5-4-6-8-13/h4-8,14,24H,9-12H2,1-3H3
InChIKeyRDXYSUUPAUIXNP-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.76
Rot. Bonds4

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

N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 54677517) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID54677517
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc(C2COCCN2C)n(C)c(=O)c1O
InChIInChI=1S/C19H24N4O4/c1-21-9-10-27-12-14(21)17-20-15(16(24)19(26)23(17)3)18(25)22(2)11-13-7-5-4-6-8-13/h4-8,14,24H,9-12H2,1-3H3
InChIKeyRDXYSUUPAUIXNP-UHFFFAOYSA-N
XLogP0.76
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide (CID 54677517) is N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1nc(C2COCCN2C)n(C)c(=O)c1O.
What is the InChIKey of N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is RDXYSUUPAUIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-21-9-10-27-12-14(21)17-20-15(16(24)19(26)23(17)3)18(25)22(2)11-13-7-5-4-6-8-13/h4-8,14,24H,9-12H2,1-3H3.
What are the key properties of N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide?
N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-hydroxy-N,1-dimethyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54677517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).