2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

C15H28N4O — CID 80961548

IUPAC2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-7-8-19(9-10-20)13-11-12(16-5)17-14(18-13)15(2,3)4/h11,20H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyRVKTWWLISBHNKK-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.41
Rot. Bonds7

About 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80961548) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80961548
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-7-8-19(9-10-20)13-11-12(16-5)17-14(18-13)15(2,3)4/h11,20H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyRVKTWWLISBHNKK-UHFFFAOYSA-N
XLogP2.41
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol 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-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961851
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293
2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771446
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80961589
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80961548) is 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is CCCCN(CCO)c1cc(NC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is RVKTWWLISBHNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-7-8-19(9-10-20)13-11-12(16-5)17-14(18-13)15(2,3)4/h11,20H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 280.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80961548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).