4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one

C9H15N3O — CID 136957461

IUPAC4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-7(2)5-12(3)8-4-9(13)11-6-10-8/h4,6-7H,5H2,1-3H3,(H,10,11,13)
InChIKeyIKFTVKMSQJZQLF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.86
Rot. Bonds3

About 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one

4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957461) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136957461
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-7(2)5-12(3)8-4-9(13)11-6-10-8/h4,6-7H,5H2,1-3H3,(H,10,11,13)
InChIKeyIKFTVKMSQJZQLF-UHFFFAOYSA-N
XLogP0.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136957461) is 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(C)CN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IKFTVKMSQJZQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)5-12(3)8-4-9(13)11-6-10-8/h4,6-7H,5H2,1-3H3,(H,10,11,13).
What are the key properties of 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one?
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).