6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one

C20H23N3O2 — CID 131945130

IUPAC6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)nc(=O)[nH]1
InChIInChI=1S/C20H23N3O2/c1-14(2)12-17-13-18(22-20(25)21-17)19(24)23-10-8-16(9-11-23)15-6-4-3-5-7-15/h3-8,13-14H,9-12H2,1-2H3,(H,21,22,25)
InChIKeyFZEQDVRRQPEMBS-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.90
Rot. Bonds4

About 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one

6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 131945130) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID131945130
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)nc(=O)[nH]1
InChIInChI=1S/C20H23N3O2/c1-14(2)12-17-13-18(22-20(25)21-17)19(24)23-10-8-16(9-11-23)15-6-4-3-5-7-15/h3-8,13-14H,9-12H2,1-2H3,(H,21,22,25)
InChIKeyFZEQDVRRQPEMBS-UHFFFAOYSA-N
XLogP2.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 77088383
4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 95194210
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
CID 99950657
N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 131909946
7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645098
6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid
CID 120699138
6-ethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-2-one
CID 156583858
3-methyl-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-quinolin-2-one
CID 59474898
1-[(3R,4S)-4-hydroxy-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698814
(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 61163140
6-(2-methylpropyl)-2-oxo-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1H-pyrimidine-4-carboxamide
CID 91789386
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one (CID 131945130) is 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is FZEQDVRRQPEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)12-17-13-18(22-20(25)21-17)19(24)23-10-8-16(9-11-23)15-6-4-3-5-7-15/h3-8,13-14H,9-12H2,1-2H3,(H,21,22,25).
What are the key properties of 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one?
6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 131945130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).