1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione

C19H23N3O3 — CID 123519236

IUPAC1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione
SMILESO=C(Cc1ccccn1)C(CC1CCCCC1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O3/c23-17(13-15-8-4-5-10-20-15)16(12-14-6-2-1-3-7-14)22-11-9-18(24)21-19(22)25/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,21,24,25)
InChIKeyDJBCKHLUUBBDJE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.25
Rot. Bonds6

About 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione

1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione (PubChem CID 123519236) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione
PubChem CID123519236
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione
SMILESO=C(Cc1ccccn1)C(CC1CCCCC1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O3/c23-17(13-15-8-4-5-10-20-15)16(12-14-6-2-1-3-7-14)22-11-9-18(24)21-19(22)25/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,21,24,25)
InChIKeyDJBCKHLUUBBDJE-UHFFFAOYSA-N
XLogP2.25
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[4-cyclopentyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
CID 123735312
3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one
CID 58284079
(2S)-3-cyclohexyl-2-[4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 67483704
(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 10224339
2-(cyclohexylmethyl)pyridine
CID 14762660
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 91254966
N-cyclohexyl-N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
CID 54994483
3-[1-cyclohexyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123725788
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione (CID 123519236) is 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione is O=C(Cc1ccccn1)C(CC1CCCCC1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione?
The InChIKey is DJBCKHLUUBBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(13-15-8-4-5-10-20-15)16(12-14-6-2-1-3-7-14)22-11-9-18(24)21-19(22)25/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,21,24,25).
What are the key properties of 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione?
1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 123519236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).