[3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol

C13H21N3O — CID 176651347

IUPAC[3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol
SMILES[2H]C([2H])(O)C1(C)CC(N)(c2ncc(C(C)C)cn2)C1
InChIInChI=1S/C13H21N3O/c1-9(2)10-4-15-11(16-5-10)13(14)6-12(3,7-13)8-17/h4-5,9,17H,6-8,14H2,1-3H3/i8D2
InChIKeyLGOTYHWLIJYOIA-MGVXTIMCSA-N
MW237.34 g/mol
LogP1.55
Rot. Bonds3

About [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol

[3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol (PubChem CID 176651347) has the molecular formula C13H21N3O and a molecular weight of 237.34 g/mol. Its IUPAC name is [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol.

Molecular Properties

Compound Name[3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol
PubChem CID176651347
Molecular FormulaC13H21N3O
Molecular Weight237.34 g/mol
Exact Mass237.18
IUPAC Name[3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol
SMILES[2H]C([2H])(O)C1(C)CC(N)(c2ncc(C(C)C)cn2)C1
InChIInChI=1S/C13H21N3O/c1-9(2)10-4-15-11(16-5-10)13(14)6-12(3,7-13)8-17/h4-5,9,17H,6-8,14H2,1-3H3/i8D2
InChIKeyLGOTYHWLIJYOIA-MGVXTIMCSA-N
XLogP1.55
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol 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

3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
CID 176650900
[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanol
CID 116842604
2-(5-propan-2-ylpyrimidin-2-yl)acetonitrile
CID 166553342
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247
N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide
CID 126671005
[1-(5-propan-2-yl-2-pyridinyl)cyclobutyl]methanol
CID 176650889
1-(5-propan-2-ylpyrimidin-2-yl)ethanone
CID 83914336
ethane;2-fluoro-5-propan-2-ylpyrimidine
CID 178173609
2-[(5-propan-2-yl-2-pyridinyl)amino]ethanol
CID 134516865
2-benzyl-5-propan-2-ylpyrimidine
CID 58170294
3,3,5,5-tetramethyl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 103961176
3-(5-propan-2-yl-2-pyridinyl)oxetan-3-ol
CID 137396259

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol?
The IUPAC name of [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol (CID 176651347) is [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol.
What is the SMILES notation for [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol?
The canonical SMILES for [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol is [2H]C([2H])(O)C1(C)CC(N)(c2ncc(C(C)C)cn2)C1.
What is the InChIKey of [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol?
The InChIKey is LGOTYHWLIJYOIA-MGVXTIMCSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)10-4-15-11(16-5-10)13(14)6-12(3,7-13)8-17/h4-5,9,17H,6-8,14H2,1-3H3/i8D2.
What are the key properties of [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol?
[3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol has a molecular weight of 237.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol is sourced from PubChem (CID 176651347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).