1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one

C9H15N3O — CID 16794315

IUPAC1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(C)N)c(=O)n1
InChIInChI=1S/C9H15N3O/c1-6(10)5-12-8(3)4-7(2)11-9(12)13/h4,6H,5,10H2,1-3H3
InChIKeyRBVJSHXEBFXGQV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds2

About 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one

1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 16794315) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one
PubChem CID16794315
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(C)N)c(=O)n1
InChIInChI=1S/C9H15N3O/c1-6(10)5-12-8(3)4-7(2)11-9(12)13/h4,6H,5,10H2,1-3H3
InChIKeyRBVJSHXEBFXGQV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one (CID 16794315) is 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(C)N)c(=O)n1.
What is the InChIKey of 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is RBVJSHXEBFXGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(10)5-12-8(3)4-7(2)11-9(12)13/h4,6H,5,10H2,1-3H3.
What are the key properties of 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one?
1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-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 1-(2-aminopropyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 16794315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).