3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one

C9H15N3O — CID 103934813

IUPAC3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C[C@@H](C)N)c(C)n1
InChIInChI=1S/C9H15N3O/c1-6(10)5-12-8(3)11-7(2)4-9(12)13/h4,6H,5,10H2,1-3H3/t6-/m1/s1
InChIKeyNAVYSVWVHNXFQJ-ZCFIWIBFSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds2

About 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one

3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 103934813) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
PubChem CID103934813
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C[C@@H](C)N)c(C)n1
InChIInChI=1S/C9H15N3O/c1-6(10)5-12-8(3)11-7(2)4-9(12)13/h4,6H,5,10H2,1-3H3/t6-/m1/s1
InChIKeyNAVYSVWVHNXFQJ-ZCFIWIBFSA-N
XLogP0.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-aminopropyl]-2,6-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

Related Compounds

3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 96672369
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 107522652
methyl 2-bromo-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoate
CID 81098959
3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769351
3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63770404
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one
CID 63767942
3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
CID 104753256
3-(4-aminobut-2-enyl)-2,6-dimethylpyrimidin-4-one
CID 77110554
3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 63769037
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanal
CID 63768681

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one (CID 103934813) is 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C[C@@H](C)N)c(C)n1.
What is the InChIKey of 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is NAVYSVWVHNXFQJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(10)5-12-8(3)11-7(2)4-9(12)13/h4,6H,5,10H2,1-3H3/t6-/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one?
3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 103934813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).