6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one

C19H26N4O3 — CID 146115586

IUPAC6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one
SMILESC[C@@H]1COC[C@@](CO)(CNc2cc(=O)n(C)cn2)N1Cc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-15-10-26-13-19(12-24,23(15)9-16-6-4-3-5-7-16)11-20-17-8-18(25)22(2)14-21-17/h3-8,14-15,20,24H,9-13H2,1-2H3/t15-,19+/m1/s1
InChIKeyOAGJCSJADMEFAI-BEFAXECRSA-N
MW358.44 g/mol
LogP0.84
Rot. Bonds6

About 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one

6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one (PubChem CID 146115586) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one
PubChem CID146115586
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one
SMILESC[C@@H]1COC[C@@](CO)(CNc2cc(=O)n(C)cn2)N1Cc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-15-10-26-13-19(12-24,23(15)9-16-6-4-3-5-7-16)11-20-17-8-18(25)22(2)14-21-17/h3-8,14-15,20,24H,9-13H2,1-2H3/t15-,19+/m1/s1
InChIKeyOAGJCSJADMEFAI-BEFAXECRSA-N
XLogP0.84
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one (CID 146115586) is 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one is C[C@@H]1COC[C@@](CO)(CNc2cc(=O)n(C)cn2)N1Cc1ccccc1.
What is the InChIKey of 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one?
The InChIKey is OAGJCSJADMEFAI-BEFAXECRSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-15-10-26-13-19(12-24,23(15)9-16-6-4-3-5-7-16)11-20-17-8-18(25)22(2)14-21-17/h3-8,14-15,20,24H,9-13H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one?
6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one has a molecular weight of 358.44 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one is sourced from PubChem (CID 146115586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).