2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one

C20H21N3O2 — CID 135860468

IUPAC2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one
SMILESCc1oc(-c2ccccc2)cc1-c1nc(C2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C20H21N3O2/c1-13-16(10-18(25-13)14-6-3-2-4-7-14)20-22-17(11-19(24)23-20)15-8-5-9-21-12-15/h2-4,6-7,10-11,15,21H,5,8-9,12H2,1H3,(H,22,23,24)
InChIKeyGAWPUENNOJYADS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.47
Rot. Bonds3

About 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one

2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one (PubChem CID 135860468) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one
PubChem CID135860468
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one
SMILESCc1oc(-c2ccccc2)cc1-c1nc(C2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C20H21N3O2/c1-13-16(10-18(25-13)14-6-3-2-4-7-14)20-22-17(11-19(24)23-20)15-8-5-9-21-12-15/h2-4,6-7,10-11,15,21H,5,8-9,12H2,1H3,(H,22,23,24)
InChIKeyGAWPUENNOJYADS-UHFFFAOYSA-N
XLogP3.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729583
N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56711716
4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
CID 136730017
4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 135975393
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136986877
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
CID 136729982
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590
2-methyl-4-[(2-methylphenyl)methyl]-6-piperidin-3-ylpyridine
CID 110252936
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136848975
ethane;3-(2-methylphenyl)piperidine
CID 144655647
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one (CID 135860468) is 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one is Cc1oc(-c2ccccc2)cc1-c1nc(C2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is GAWPUENNOJYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-16(10-18(25-13)14-6-3-2-4-7-14)20-22-17(11-19(24)23-20)15-8-5-9-21-12-15/h2-4,6-7,10-11,15,21H,5,8-9,12H2,1H3,(H,22,23,24).
What are the key properties of 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one?
2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 335.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135860468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).