1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one

C21H31N3O — CID 134461055

IUPAC1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one
SMILESCC(C)c1cnc(C(C)CCC(C)c2cccn(C(C)C)c2=O)nc1
InChIInChI=1S/C21H31N3O/c1-14(2)18-12-22-20(23-13-18)17(6)10-9-16(5)19-8-7-11-24(15(3)4)21(19)25/h7-8,11-17H,9-10H2,1-6H3
InChIKeyLKBVYYJZGRGPJT-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.03
Rot. Bonds7

About 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one

1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one (PubChem CID 134461055) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one
PubChem CID134461055
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one
SMILESCC(C)c1cnc(C(C)CCC(C)c2cccn(C(C)C)c2=O)nc1
InChIInChI=1S/C21H31N3O/c1-14(2)18-12-22-20(23-13-18)17(6)10-9-16(5)19-8-7-11-24(15(3)4)21(19)25/h7-8,11-17H,9-10H2,1-6H3
InChIKeyLKBVYYJZGRGPJT-UHFFFAOYSA-N
XLogP5.03
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one with MolForge

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Related Compounds

US10023592, Example 511
CID 118027871
US10023592, Example 508
CID 118027872
US10023592, Example 512
CID 118027878
US10023592, Example 513
CID 118027879
5-Ethyl-5-fluoro-6-(2-methylpyrimidin-5-yl)cyclohexa-1,3-diene-1-carboxamide
CID 138475729
2-fluoro-1-[4-[(3Z,5Z)-2-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]hepta-1,3,5-trien-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 169205319
1-[(2S)-1-cyclopentyl-3-oxo-4-pyrimidin-2-ylbutan-2-yl]-5-methylpyridin-2-one
CID 58284092
5-(9-Cyclopropylnonyl)-2-(5-nonylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one
CID 67785811
5-[(3S)-5-(2,2-dimethylcyclopropyl)-3-methylpentyl]-2-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one
CID 67794768
(E)-1-(4-pyrimidin-2-ylcyclohex-3-en-1-yl)but-2-en-1-one
CID 70168457
5-Nonyl-2-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one
CID 70349056
5-Octyl-2-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one
CID 70366601

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one?
The IUPAC name of 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one (CID 134461055) is 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one is CC(C)c1cnc(C(C)CCC(C)c2cccn(C(C)C)c2=O)nc1.
What is the InChIKey of 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one?
The InChIKey is LKBVYYJZGRGPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-14(2)18-12-22-20(23-13-18)17(6)10-9-16(5)19-8-7-11-24(15(3)4)21(19)25/h7-8,11-17H,9-10H2,1-6H3.
What are the key properties of 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one?
1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one has a molecular weight of 341.50 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[5-(5-propan-2-ylpyrimidin-2-yl)hexan-2-yl]pyridin-2-one is sourced from PubChem (CID 134461055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).