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

C15H21N3O2 — CID 77088383

IUPAC4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC1=CCN(C(=O)c2cc(CC(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C15H21N3O2/c1-10(2)8-12-9-13(17-15(20)16-12)14(19)18-6-4-11(3)5-7-18/h4,9-10H,5-8H2,1-3H3,(H,16,17,20)
InChIKeyPLBDIPBAPJBWPB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.76
Rot. Bonds3

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

4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 77088383) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID77088383
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC1=CCN(C(=O)c2cc(CC(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C15H21N3O2/c1-10(2)8-12-9-13(17-15(20)16-12)14(19)18-6-4-11(3)5-7-18/h4,9-10H,5-8H2,1-3H3,(H,16,17,20)
InChIKeyPLBDIPBAPJBWPB-UHFFFAOYSA-N
XLogP1.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
CID 131945130
6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one
CID 131906230
4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 91794983
4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 95194210
1-[(3R,4S)-4-hydroxy-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698814
4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 99932538
6-(2-methylpropyl)-2-oxo-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1H-pyrimidine-4-carboxamide
CID 91789386
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
CID 99950657
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409397
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one (CID 77088383) is 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one is CC1=CCN(C(=O)c2cc(CC(C)C)[nH]c(=O)n2)CC1.
What is the InChIKey of 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is PLBDIPBAPJBWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)8-12-9-13(17-15(20)16-12)14(19)18-6-4-11(3)5-7-18/h4,9-10H,5-8H2,1-3H3,(H,16,17,20).
What are the key properties of 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 77088383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).