2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one

C8H13N3O — CID 95380525

IUPAC2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one
SMILESCC[C@@](C)(N)c1nccc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-3-8(2,9)7-10-5-4-6(12)11-7/h4-5H,3,9H2,1-2H3,(H,10,11,12)/t8-/m1/s1
InChIKeyVVGONDJGKXRPKB-MRVPVSSYSA-N
MW167.21 g/mol
LogP0.35
Rot. Bonds2

About 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one

2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one (PubChem CID 95380525) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one
PubChem CID95380525
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one
SMILESCC[C@@](C)(N)c1nccc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-3-8(2,9)7-10-5-4-6(12)11-7/h4-5H,3,9H2,1-2H3,(H,10,11,12)/t8-/m1/s1
InChIKeyVVGONDJGKXRPKB-MRVPVSSYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
CID 116744920
2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one
CID 136910509
2-[(2S)-2-aminobutan-2-yl]-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136667067
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine
CID 79811188
CID 172758023
CID 172758023
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]butan-2-amine
CID 79811408
2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798722
2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine
CID 79811410
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-pyrimidin-6-one
CID 43654583
2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79441317
2-butyl-1H-pyrimidin-6-one
CID 10511035
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine
CID 79811525

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one (CID 95380525) is 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one is CC[C@@](C)(N)c1nccc(=O)[nH]1.
What is the InChIKey of 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one?
The InChIKey is VVGONDJGKXRPKB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-8(2,9)7-10-5-4-6(12)11-7/h4-5H,3,9H2,1-2H3,(H,10,11,12)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one?
2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 95380525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).