2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride

C11H18ClN3O — CID 137014957

IUPAC2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(C2(C)CCCNC2)cc(=O)[nH]1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8-13-9(6-10(15)14-8)11(2)4-3-5-12-7-11;/h6,12H,3-5,7H2,1-2H3,(H,13,14,15);1H
InChIKeyXXSGXZZHVBZCBS-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.14
Rot. Bonds1

About 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride

2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 137014957) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID137014957
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(C2(C)CCCNC2)cc(=O)[nH]1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8-13-9(6-10(15)14-8)11(2)4-3-5-12-7-11;/h6,12H,3-5,7H2,1-2H3,(H,13,14,15);1H
InChIKeyXXSGXZZHVBZCBS-UHFFFAOYSA-N
XLogP1.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride (CID 137014957) is 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride is Cc1nc(C2(C)CCCNC2)cc(=O)[nH]1.Cl.
What is the InChIKey of 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is XXSGXZZHVBZCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-8-13-9(6-10(15)14-8)11(2)4-3-5-12-7-11;/h6,12H,3-5,7H2,1-2H3,(H,13,14,15);1H.
What are the key properties of 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride?
2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 137014957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).