2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one

C15H21N3O2 — CID 175656276

IUPAC2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)N1CCOC(CCc2cc(C)ncn2)C1
InChIInChI=1S/C15H21N3O2/c1-11(2)15(19)18-6-7-20-14(9-18)5-4-13-8-12(3)16-10-17-13/h8,10,14H,1,4-7,9H2,2-3H3
InChIKeyZKBWZCUFTQRZGQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.52
Rot. Bonds4

About 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one

2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 175656276) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
PubChem CID175656276
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=C(C)C(=O)N1CCOC(CCc2cc(C)ncn2)C1
InChIInChI=1S/C15H21N3O2/c1-11(2)15(19)18-6-7-20-14(9-18)5-4-13-8-12(3)16-10-17-13/h8,10,14H,1,4-7,9H2,2-3H3
InChIKeyZKBWZCUFTQRZGQ-UHFFFAOYSA-N
XLogP1.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124960361
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 110116516
1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124995572
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124993832
3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one
CID 124948479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one (CID 175656276) is 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one is C=C(C)C(=O)N1CCOC(CCc2cc(C)ncn2)C1.
What is the InChIKey of 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is ZKBWZCUFTQRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)15(19)18-6-7-20-14(9-18)5-4-13-8-12(3)16-10-17-13/h8,10,14H,1,4-7,9H2,2-3H3.
What are the key properties of 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 275.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 175656276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).