5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one

C12H21N3O — CID 63206026

IUPAC5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
SMILESCc1cnc(=O)n(CCCNCC(C)C)c1
InChIInChI=1S/C12H21N3O/c1-10(2)7-13-5-4-6-15-9-11(3)8-14-12(15)16/h8-10,13H,4-7H2,1-3H3
InChIKeyKQWFRWQAPCPYDB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.19
Rot. Bonds6

About 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one

5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one (PubChem CID 63206026) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
PubChem CID63206026
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
SMILESCc1cnc(=O)n(CCCNCC(C)C)c1
InChIInChI=1S/C12H21N3O/c1-10(2)7-13-5-4-6-15-9-11(3)8-14-12(15)16/h8-10,13H,4-7H2,1-3H3
InChIKeyKQWFRWQAPCPYDB-UHFFFAOYSA-N
XLogP1.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-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 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one?
The IUPAC name of 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one (CID 63206026) is 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one is Cc1cnc(=O)n(CCCNCC(C)C)c1.
What is the InChIKey of 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one?
The InChIKey is KQWFRWQAPCPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)7-13-5-4-6-15-9-11(3)8-14-12(15)16/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one?
5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one is sourced from PubChem (CID 63206026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).