[3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol

C16H27N3O — CID 54425847

IUPAC[3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol
SMILESCc1nc(C)c(C)c(NCCC2(CO)CC(C)(C)C2)n1
InChIInChI=1S/C16H27N3O/c1-11-12(2)18-13(3)19-14(11)17-7-6-16(10-20)8-15(4,5)9-16/h20H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyWEABMQCRMHTEEY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.00
Rot. Bonds5

About [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol

[3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol (PubChem CID 54425847) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol
PubChem CID54425847
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol
SMILESCc1nc(C)c(C)c(NCCC2(CO)CC(C)(C)C2)n1
InChIInChI=1S/C16H27N3O/c1-11-12(2)18-13(3)19-14(11)17-7-6-16(10-20)8-15(4,5)9-16/h20H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyWEABMQCRMHTEEY-UHFFFAOYSA-N
XLogP3.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol 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

4-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
CID 135260399
[1-[[(2-Amino-6-methyl-pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 500509
(1-{[Methyl(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72893328
5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine
CID 125447737
[3-[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 132386722
Ethane;2-ethyl-4-[[5-methyl-2-(pentylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 144238487
3-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 103705151
[1-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 104881323
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104952884
[2-[[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]methanol
CID 128140088
2-[1-[[[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol
CID 133376075
2-Ethyl-4-[[5-methyl-2-(pentylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 144238488

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol?
The IUPAC name of [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol (CID 54425847) is [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol.
What is the SMILES notation for [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol?
The canonical SMILES for [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol is Cc1nc(C)c(C)c(NCCC2(CO)CC(C)(C)C2)n1.
What is the InChIKey of [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol?
The InChIKey is WEABMQCRMHTEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-12(2)18-13(3)19-14(11)17-7-6-16(10-20)8-15(4,5)9-16/h20H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol?
[3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol is sourced from PubChem (CID 54425847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).