2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one

C8H13N3O — CID 63362737

IUPAC2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)C(N)c1nccc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)7(9)8-10-4-3-6(12)11-8/h3-5,7H,9H2,1-2H3,(H,10,11,12)
InChIKeyAJGJSCYJDLQOTD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.43
Rot. Bonds2

About 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one

2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 63362737) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID63362737
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)C(N)c1nccc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)7(9)8-10-4-3-6(12)11-8/h3-5,7H,9H2,1-2H3,(H,10,11,12)
InChIKeyAJGJSCYJDLQOTD-UHFFFAOYSA-N
XLogP0.43
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one (CID 63362737) is 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one is CC(C)C(N)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is AJGJSCYJDLQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)7(9)8-10-4-3-6(12)11-8/h3-5,7H,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one?
2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).