3-(2-aminopropyl)-6-ethylpyrimidin-4-one

C9H15N3O — CID 130878021

IUPAC3-(2-aminopropyl)-6-ethylpyrimidin-4-one
SMILESCCc1cc(=O)n(CC(C)N)cn1
InChIInChI=1S/C9H15N3O/c1-3-8-4-9(13)12(6-11-8)5-7(2)10/h4,6-7H,3,5,10H2,1-2H3
InChIKeyRSGNVKAFNDLZMO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.15
Rot. Bonds3

About 3-(2-aminopropyl)-6-ethylpyrimidin-4-one

3-(2-aminopropyl)-6-ethylpyrimidin-4-one (PubChem CID 130878021) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2-aminopropyl)-6-ethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminopropyl)-6-ethylpyrimidin-4-one
PubChem CID130878021
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2-aminopropyl)-6-ethylpyrimidin-4-one
SMILESCCc1cc(=O)n(CC(C)N)cn1
InChIInChI=1S/C9H15N3O/c1-3-8-4-9(13)12(6-11-8)5-7(2)10/h4,6-7H,3,5,10H2,1-2H3
InChIKeyRSGNVKAFNDLZMO-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-6-ethylpyrimidin-4-one?
The IUPAC name of 3-(2-aminopropyl)-6-ethylpyrimidin-4-one (CID 130878021) is 3-(2-aminopropyl)-6-ethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminopropyl)-6-ethylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminopropyl)-6-ethylpyrimidin-4-one is CCc1cc(=O)n(CC(C)N)cn1.
What is the InChIKey of 3-(2-aminopropyl)-6-ethylpyrimidin-4-one?
The InChIKey is RSGNVKAFNDLZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8-4-9(13)12(6-11-8)5-7(2)10/h4,6-7H,3,5,10H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-6-ethylpyrimidin-4-one?
3-(2-aminopropyl)-6-ethylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-6-ethylpyrimidin-4-one is sourced from PubChem (CID 130878021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).