3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C16H19N3O3 — CID 70784898

IUPAC3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC[C@H]1COCCN1C(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H19N3O3/c1-3-12-10-22-8-7-18(12)15(20)13-9-17-14-6-4-5-11(2)19(14)16(13)21/h4-6,9,12H,3,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyBTKICSRKTMRVAY-LBPRGKRZSA-N
MW301.35 g/mol
LogP1.25
Rot. Bonds2

About 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 70784898) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID70784898
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC[C@H]1COCCN1C(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H19N3O3/c1-3-12-10-22-8-7-18(12)15(20)13-9-17-14-6-4-5-11(2)19(14)16(13)21/h4-6,9,12H,3,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyBTKICSRKTMRVAY-LBPRGKRZSA-N
XLogP1.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-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 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 70784898) is 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CC[C@H]1COCCN1C(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BTKICSRKTMRVAY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-12-10-22-8-7-18(12)15(20)13-9-17-14-6-4-5-11(2)19(14)16(13)21/h4-6,9,12H,3,7-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-ethylmorpholine-4-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70784898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).