2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one

C19H25N3O2 — CID 175314937

IUPAC2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one
SMILESCc1ncc(-c2ccccc2)c(=O)n1CCCCC1CNCCO1
InChIInChI=1S/C19H25N3O2/c1-15-21-14-18(16-7-3-2-4-8-16)19(23)22(15)11-6-5-9-17-13-20-10-12-24-17/h2-4,7-8,14,17,20H,5-6,9-13H2,1H3
InChIKeyHKPOUKCMDASYSP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.38
Rot. Bonds6

About 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one

2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one (PubChem CID 175314937) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one
PubChem CID175314937
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one
SMILESCc1ncc(-c2ccccc2)c(=O)n1CCCCC1CNCCO1
InChIInChI=1S/C19H25N3O2/c1-15-21-14-18(16-7-3-2-4-8-16)19(23)22(15)11-6-5-9-17-13-20-10-12-24-17/h2-4,7-8,14,17,20H,5-6,9-13H2,1H3
InChIKeyHKPOUKCMDASYSP-UHFFFAOYSA-N
XLogP2.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide
CID 16435563
2,6-Dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one
CID 2929612
2,6-Dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one
CID 892504
3-(3-Fluorophenyl)-1-[2-(4-hydroxy-6-methylpyrimidin-2-YL)morpholin-4-YL]propan-1-one
CID 136793089
4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136793125
3-(2-Fluorophenyl)-1-[2-(4-hydroxy-6-methylpyrimidin-2-YL)morpholin-4-YL]propan-1-one
CID 136844336
3-(4-Fluorophenyl)-1-[2-(4-hydroxy-6-methylpyrimidin-2-YL)morpholin-4-YL]propan-1-one
CID 136844366
2-(3,4-Difluorophenyl)-1-[2-(6-hydroxy-2-methylpyrimidin-4-YL)morpholin-4-YL]ethanone
CID 136844523
2-(2-Fluorophenyl)-1-{2-[2-(6-hydroxypyrimidin-4-YL)ethyl]morpholin-4-YL}ethanone
CID 136844711
2-(4-Fluorophenyl)-1-{2-[2-(6-hydroxypyrimidin-4-YL)ethyl]morpholin-4-YL}ethanone
CID 136844712
2-(3-Fluorophenyl)-1-{2-[2-(6-hydroxypyrimidin-4-YL)ethyl]morpholin-4-YL}ethanone
CID 136844717
4-[2-[(2S)-4-[2-(4-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037869

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one?
The IUPAC name of 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one (CID 175314937) is 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one is Cc1ncc(-c2ccccc2)c(=O)n1CCCCC1CNCCO1.
What is the InChIKey of 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one?
The InChIKey is HKPOUKCMDASYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-21-14-18(16-7-3-2-4-8-16)19(23)22(15)11-6-5-9-17-13-20-10-12-24-17/h2-4,7-8,14,17,20H,5-6,9-13H2,1H3.
What are the key properties of 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one?
2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one is sourced from PubChem (CID 175314937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).