2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one

C10H17N3O — CID 144593439

IUPAC2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C2CCNCC2)CC(=O)N1
InChIInChI=1S/C10H17N3O/c1-7-12-9(6-10(14)13-7)8-2-4-11-5-3-8/h8-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyDBZOKSYMVAZFJE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.29
Rot. Bonds1

About 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one

2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 144593439) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID144593439
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C2CCNCC2)CC(=O)N1
InChIInChI=1S/C10H17N3O/c1-7-12-9(6-10(14)13-7)8-2-4-11-5-3-8/h8-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyDBZOKSYMVAZFJE-UHFFFAOYSA-N
XLogP0.29
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-piperidin-4-yl-4,5-dihydro-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

2,6-Dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 20666330
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 59505089
2-methyl-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 59652331
(4aR,7aS)-2-propan-2-yl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
CID 90089642
2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
2-Methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
CID 118055350
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-4-yl]ethyl]guanidine
CID 137192530
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
CID 137298090
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
CID 163585117
(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide
CID 166914999
2-piperidin-2-yl-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 5245798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one (CID 144593439) is 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one is CC1=NC(C2CCNCC2)CC(=O)N1.
What is the InChIKey of 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is DBZOKSYMVAZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-12-9(6-10(14)13-7)8-2-4-11-5-3-8/h8-9,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 144593439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).