[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

C15H23N3O2 — CID 70731416

IUPAC[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC[C@H]1COCCN1C(=O)c1cnc(C(C)C)nc1C
InChIInChI=1S/C15H23N3O2/c1-5-12-9-20-7-6-18(12)15(19)13-8-16-14(10(2)3)17-11(13)4/h8,10,12H,5-7,9H2,1-4H3/t12-/m0/s1
InChIKeyDAEUZKKOOIBALZ-LBPRGKRZSA-N
MW277.37 g/mol
LogP2.16
Rot. Bonds3

About [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 70731416) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID70731416
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC[C@H]1COCCN1C(=O)c1cnc(C(C)C)nc1C
InChIInChI=1S/C15H23N3O2/c1-5-12-9-20-7-6-18(12)15(19)13-8-16-14(10(2)3)17-11(13)4/h8,10,12H,5-7,9H2,1-4H3/t12-/m0/s1
InChIKeyDAEUZKKOOIBALZ-LBPRGKRZSA-N
XLogP2.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone 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 [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (CID 70731416) is [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is CC[C@H]1COCCN1C(=O)c1cnc(C(C)C)nc1C.
What is the InChIKey of [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is DAEUZKKOOIBALZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-12-9-20-7-6-18(12)15(19)13-8-16-14(10(2)3)17-11(13)4/h8,10,12H,5-7,9H2,1-4H3/t12-/m0/s1.
What are the key properties of [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70731416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).