2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one

C15H19N3O2 — CID 79441317

IUPAC2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCC(C)(N)c1nc(O)c(-c2ccccc2C)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-4-15(3,16)14-17-12(19)11(13(20)18-14)10-8-6-5-7-9(10)2/h5-8H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyRYTDTQLXUCWQBW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one

2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79441317) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79441317
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCC(C)(N)c1nc(O)c(-c2ccccc2C)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-4-15(3,16)14-17-12(19)11(13(20)18-14)10-8-6-5-7-9(10)2/h5-8H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyRYTDTQLXUCWQBW-UHFFFAOYSA-N
XLogP2.03
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79441539
2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438945
2-(tert-butylsulfanylmethyl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79423539
2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439029
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79423547
6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115945847
2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79432601
2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79417630
2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798722
1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946021
5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 79438852
4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 63612440

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one (CID 79441317) is 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one is CCC(C)(N)c1nc(O)c(-c2ccccc2C)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is RYTDTQLXUCWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-15(3,16)14-17-12(19)11(13(20)18-14)10-8-6-5-7-9(10)2/h5-8H,4,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one?
2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79441317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).