2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one

C19H25N3O — CID 2303903

IUPAC2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCN1CCCCC1
InChIInChI=1S/C19H25N3O/c1-15-18(17-9-5-3-6-10-17)19(23)20-16(2)22(15)14-13-21-11-7-4-8-12-21/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3
InChIKeyNPFASTNWDJVFMF-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.01
Rot. Bonds4

About 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one

2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 2303903) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID2303903
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCN1CCCCC1
InChIInChI=1S/C19H25N3O/c1-15-18(17-9-5-3-6-10-17)19(23)20-16(2)22(15)14-13-21-11-7-4-8-12-21/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3
InChIKeyNPFASTNWDJVFMF-UHFFFAOYSA-N
XLogP3.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4(1H)-one
CID 658356
6-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)hexanoic acid
CID 1729841
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135960846
2,3,6-trimethyl-5-phenylpyrimidin-4(3H)-one
CID 776568
2,6-Dimethyl-5-phenyl-3H-pyrimidin-4-one
CID 135407240
1-benzyl-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 781510
1-(2-Hydroxyethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 792606
Ethyl 4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)butanoate
CID 2997544
6-Methyl-2-[(4-phenylpiperidino)methyl]-4-pyrimidinol
CID 135472864
2-Methyl-6-[(4-phenylpiperidino)methyl]-4-pyrimidinol
CID 135472878
6-Methyl-5-phenyl-2-((E)-styryl)-3H-pyrimidin-4-one
CID 135517050

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 2303903) is 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1CCN1CCCCC1.
What is the InChIKey of 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is NPFASTNWDJVFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-18(17-9-5-3-6-10-17)19(23)20-16(2)22(15)14-13-21-11-7-4-8-12-21/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one?
2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 311.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 2303903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).