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

C18H21N3O2 — CID 70745177

IUPAC[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
SMILESCC[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C18H21N3O2/c1-3-15-12-23-10-9-21(15)18(22)16-11-19-17(20-13(16)2)14-7-5-4-6-8-14/h4-8,11,15H,3,9-10,12H2,1-2H3/t15-/m0/s1
InChIKeyITTVCAJGVZYROY-HNNXBMFYSA-N
MW311.38 g/mol
LogP2.70
Rot. Bonds3

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

[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone (PubChem CID 70745177) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
PubChem CID70745177
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
SMILESCC[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C18H21N3O2/c1-3-15-12-23-10-9-21(15)18(22)16-11-19-17(20-13(16)2)14-7-5-4-6-8-14/h4-8,11,15H,3,9-10,12H2,1-2H3/t15-/m0/s1
InChIKeyITTVCAJGVZYROY-HNNXBMFYSA-N
XLogP2.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone (CID 70745177) is [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone is CC[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1C.
What is the InChIKey of [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
The InChIKey is ITTVCAJGVZYROY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-15-12-23-10-9-21(15)18(22)16-11-19-17(20-13(16)2)14-7-5-4-6-8-14/h4-8,11,15H,3,9-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
[(3S)-3-ethylmorpholin-4-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.70, 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-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70745177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).