2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one

C12H21N3O — CID 136910509

IUPAC2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC[C@](C)(N)c1nc(C(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-6-12(5,13)10-14-8(11(2,3)4)7-9(16)15-10/h7H,6,13H2,1-5H3,(H,14,15,16)/t12-/m0/s1
InChIKeyDNDVTFLBWCVBKP-LBPRGKRZSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds2

About 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one

2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one (PubChem CID 136910509) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one
PubChem CID136910509
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC[C@](C)(N)c1nc(C(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-6-12(5,13)10-14-8(11(2,3)4)7-9(16)15-10/h7H,6,13H2,1-5H3,(H,14,15,16)/t12-/m0/s1
InChIKeyDNDVTFLBWCVBKP-LBPRGKRZSA-N
XLogP1.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136955140
2-[(2S)-2-aminobutan-2-yl]-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136667067
2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one
CID 95380525
4-tert-butyl-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 136745752
2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798999
4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride
CID 135962964
4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135973612
2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one
CID 136740890
N-(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)nitramide
CID 136690815
2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798722
2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine
CID 102970045
2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanethioic S-acid
CID 135959508

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one (CID 136910509) is 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one is CC[C@](C)(N)c1nc(C(C)(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one?
The InChIKey is DNDVTFLBWCVBKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-12(5,13)10-14-8(11(2,3)4)7-9(16)15-10/h7H,6,13H2,1-5H3,(H,14,15,16)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one?
2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136910509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).