2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride

C8H14ClN3O — CID 56826396

IUPAC2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCCC(C)(N)c1nccc(=O)[nH]1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-3-8(2,9)7-10-5-4-6(12)11-7;/h4-5H,3,9H2,1-2H3,(H,10,11,12);1H
InChIKeyMAJQWFIHWRACRT-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.78
Rot. Bonds2

About 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride

2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 56826396) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID56826396
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCCC(C)(N)c1nccc(=O)[nH]1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-3-8(2,9)7-10-5-4-6(12)11-7;/h4-5H,3,9H2,1-2H3,(H,10,11,12);1H
InChIKeyMAJQWFIHWRACRT-UHFFFAOYSA-N
XLogP0.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride (CID 56826396) is 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride is CCC(C)(N)c1nccc(=O)[nH]1.Cl.
What is the InChIKey of 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is MAJQWFIHWRACRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-3-8(2,9)7-10-5-4-6(12)11-7;/h4-5H,3,9H2,1-2H3,(H,10,11,12);1H.
What are the key properties of 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-yl)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 56826396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).