4-amino-2-butan-2-yl-1H-pyrimidin-6-one

C8H13N3O — CID 135998409

IUPAC4-amino-2-butan-2-yl-1H-pyrimidin-6-one
SMILESCCC(C)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-3-5(2)8-10-6(9)4-7(12)11-8/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyZCUIOXYEBJDCEI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.87
Rot. Bonds2

About 4-amino-2-butan-2-yl-1H-pyrimidin-6-one

4-amino-2-butan-2-yl-1H-pyrimidin-6-one (PubChem CID 135998409) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-2-butan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-butan-2-yl-1H-pyrimidin-6-one
PubChem CID135998409
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-2-butan-2-yl-1H-pyrimidin-6-one
SMILESCCC(C)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-3-5(2)8-10-6(9)4-7(12)11-8/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyZCUIOXYEBJDCEI-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-butan-2-yl-1H-pyrimidin-6-one (CID 135998409) is 4-amino-2-butan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-butan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-butan-2-yl-1H-pyrimidin-6-one is CCC(C)c1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-butan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZCUIOXYEBJDCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-5(2)8-10-6(9)4-7(12)11-8/h4-5H,3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 4-amino-2-butan-2-yl-1H-pyrimidin-6-one?
4-amino-2-butan-2-yl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135998409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).