3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one

C9H15N3O — CID 61224167

IUPAC3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)CN)cn1
InChIInChI=1S/C9H15N3O/c1-7(4-10)5-12-6-11-8(2)3-9(12)13/h3,6-7H,4-5,10H2,1-2H3
InChIKeyZLMAFXCRJFYTDR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.15
Rot. Bonds3

About 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one

3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one (PubChem CID 61224167) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one
PubChem CID61224167
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)CN)cn1
InChIInChI=1S/C9H15N3O/c1-7(4-10)5-12-6-11-8(2)3-9(12)13/h3,6-7H,4-5,10H2,1-2H3
InChIKeyZLMAFXCRJFYTDR-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-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one (CID 61224167) is 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(C)CN)cn1.
What is the InChIKey of 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one?
The InChIKey is ZLMAFXCRJFYTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(4-10)5-12-6-11-8(2)3-9(12)13/h3,6-7H,4-5,10H2,1-2H3.
What are the key properties of 3-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one?
3-(3-amino-2-methylpropyl)-6-methylpyrimidin-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-(3-amino-2-methylpropyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).