2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one

C11H17N3O — CID 136857183

IUPAC2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C)CCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-8-13-9(6-10(15)14-8)12-7-11(2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyYCRDUPPQQSDIJL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136857183) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136857183
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C)CCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-8-13-9(6-10(15)14-8)12-7-11(2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyYCRDUPPQQSDIJL-UHFFFAOYSA-N
XLogP1.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[(1-methylcyclobutyl)methylamino]-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136857183) is 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2(C)CCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YCRDUPPQQSDIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-13-9(6-10(15)14-8)12-7-11(2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).