5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one

C15H27N3O2 — CID 71110198

IUPAC5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCn1c(NCCO)nc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H27N3O2/c1-14(2,3)10-11(15(4,5)6)17-13(16-8-9-19)18(7)12(10)20/h19H,8-9H2,1-7H3,(H,16,17)
InChIKeyACTQGEQDYHKOIO-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.78
Rot. Bonds3

About 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one

5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one (PubChem CID 71110198) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
PubChem CID71110198
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCn1c(NCCO)nc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H27N3O2/c1-14(2,3)10-11(15(4,5)6)17-13(16-8-9-19)18(7)12(10)20/h19H,8-9H2,1-7H3,(H,16,17)
InChIKeyACTQGEQDYHKOIO-UHFFFAOYSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((2-Hydroxyethyl)(methyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol
CID 135408993
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
2-(2-Ethoxyethylamino)-5-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 20061459
5-Tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one
CID 71110199
6-Tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110306
5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
CID 135736975
2-(2-Hydroxyethylamino)-3,5,6-trimethylpyrimidin-4-one
CID 144181816
5-Ethyl-2-(ethylamino)-3,6-dimethylpyrimidin-4-one
CID 157638533
5-Ethyl-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 160400149
5-(2-hydroxyethyl)-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
CID 136741030
5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
CID 136741031
5-(2-hydroxyethyl)-4-methyl-2-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136741046

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one (CID 71110198) is 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one is Cn1c(NCCO)nc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The InChIKey is ACTQGEQDYHKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-14(2,3)10-11(15(4,5)6)17-13(16-8-9-19)18(7)12(10)20/h19H,8-9H2,1-7H3,(H,16,17).
What are the key properties of 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one has a molecular weight of 281.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 71110198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).