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

C8H13N3O — CID 135596635

IUPAC4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)3-7-10-6(9)4-8(12)11-7/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyVWIXSUNRGQXMNB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.55
Rot. Bonds2

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

4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 135596635) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID135596635
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)3-7-10-6(9)4-8(12)11-7/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyVWIXSUNRGQXMNB-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one (CID 135596635) is 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one is CC(C)Cc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is VWIXSUNRGQXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)3-7-10-6(9)4-8(12)11-7/h4-5H,3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one?
4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135596635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).