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

C14H23N3O — CID 72893328

IUPAC[1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nc(C)c(C)c(N(C)CC2(CO)CCC2)n1
InChIInChI=1S/C14H23N3O/c1-10-11(2)15-12(3)16-13(10)17(4)8-14(9-18)6-5-7-14/h18H,5-9H2,1-4H3
InChIKeyYAVRAXSWEAAIAK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.00
Rot. Bonds4

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

[1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 72893328) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
PubChem CID72893328
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nc(C)c(C)c(N(C)CC2(CO)CCC2)n1
InChIInChI=1S/C14H23N3O/c1-10-11(2)15-12(3)16-13(10)17(4)8-14(9-18)6-5-7-14/h18H,5-9H2,1-4H3
InChIKeyYAVRAXSWEAAIAK-UHFFFAOYSA-N
XLogP2.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]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

[1-[[(2-Amino-6-methyl-pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 500509
7-(2,5,6-Trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71969218
[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 164631085
[2-[[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]methanol
CID 128140088
1-[2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl]-3-piperidinol trifluoroacetate (salt)
CID 45190787
3-(Hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
CID 54028737
[3,3-Dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol
CID 54425847
(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 170185908
(1-{[[2-(Dimethylamino)-6-methylpyrimidin-4-yl](methyl)amino]methyl}cyclobutyl)methanol
CID 50961636
[4-[[[2-(Dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol
CID 50978853
3-[[Methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 65995197
3-[[(2,6-Dimethylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 65995808

Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (CID 72893328) is [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is Cc1nc(C)c(C)c(N(C)CC2(CO)CCC2)n1.
What is the InChIKey of [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is YAVRAXSWEAAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-11(2)15-12(3)16-13(10)17(4)8-14(9-18)6-5-7-14/h18H,5-9H2,1-4H3.
What are the key properties of [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
[1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 72893328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).