3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one

C10H17N3O — CID 63768290

IUPAC3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)CN)c(C)n1
InChIInChI=1S/C10H17N3O/c1-7(5-11)6-13-9(3)12-8(2)4-10(13)14/h4,7H,5-6,11H2,1-3H3
InChIKeyRQDSTUTYYDUPIY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.45
Rot. Bonds3

About 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one

3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63768290) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63768290
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)CN)c(C)n1
InChIInChI=1S/C10H17N3O/c1-7(5-11)6-13-9(3)12-8(2)4-10(13)14/h4,7H,5-6,11H2,1-3H3
InChIKeyRQDSTUTYYDUPIY-UHFFFAOYSA-N
XLogP0.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one (CID 63768290) is 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(C)CN)c(C)n1.
What is the InChIKey of 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is RQDSTUTYYDUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(5-11)6-13-9(3)12-8(2)4-10(13)14/h4,7H,5-6,11H2,1-3H3.
What are the key properties of 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one?
3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63768290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).