2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one

C10H18N4O — CID 118489722

IUPAC2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(N(C)CCCN)n(C)c1=O
InChIInChI=1S/C10H18N4O/c1-8-7-12-10(14(3)9(8)15)13(2)6-4-5-11/h7H,4-6,11H2,1-3H3
InChIKeyYRSJMLFQNICBII-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.13
Rot. Bonds4

About 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one

2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one (PubChem CID 118489722) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one
PubChem CID118489722
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(N(C)CCCN)n(C)c1=O
InChIInChI=1S/C10H18N4O/c1-8-7-12-10(14(3)9(8)15)13(2)6-4-5-11/h7H,4-6,11H2,1-3H3
InChIKeyYRSJMLFQNICBII-UHFFFAOYSA-N
XLogP-0.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-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-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one (CID 118489722) is 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one is Cc1cnc(N(C)CCCN)n(C)c1=O.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one?
The InChIKey is YRSJMLFQNICBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-7-12-10(14(3)9(8)15)13(2)6-4-5-11/h7H,4-6,11H2,1-3H3.
What are the key properties of 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one?
2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one has a molecular weight of 210.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 118489722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).