3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one

C9H15N3O — CID 63768645

IUPAC3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCN)c(C)n1
InChIInChI=1S/C9H15N3O/c1-7-6-9(13)12(5-3-4-10)8(2)11-7/h6H,3-5,10H2,1-2H3
InChIKeyITHXXUPNKONLFP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds3

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

3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63768645) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63768645
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCN)c(C)n1
InChIInChI=1S/C9H15N3O/c1-7-6-9(13)12(5-3-4-10)8(2)11-7/h6H,3-5,10H2,1-2H3
InChIKeyITHXXUPNKONLFP-UHFFFAOYSA-N
XLogP0.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one (CID 63768645) is 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCCN)c(C)n1.
What is the InChIKey of 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is ITHXXUPNKONLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-6-9(13)12(5-3-4-10)8(2)11-7/h6H,3-5,10H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one?
3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63768645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).