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

C11H19N3O — CID 63767940

IUPAC3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one
SMILESCCCC(N)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-4-5-10(12)7-14-9(3)13-8(2)6-11(14)15/h6,10H,4-5,7,12H2,1-3H3
InChIKeySQEQVGPZCPTKOO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.99
Rot. Bonds4

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

3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63767940) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63767940
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one
SMILESCCCC(N)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-4-5-10(12)7-14-9(3)13-8(2)6-11(14)15/h6,10H,4-5,7,12H2,1-3H3
InChIKeySQEQVGPZCPTKOO-UHFFFAOYSA-N
XLogP0.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one (CID 63767940) is 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one is CCCC(N)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is SQEQVGPZCPTKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-10(12)7-14-9(3)13-8(2)6-11(14)15/h6,10H,4-5,7,12H2,1-3H3.
What are the key properties of 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one?
3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopentyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63767940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).