3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol

C14H23N3O2 — CID 54028737

IUPAC3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
SMILESCc1nc(C)c(C)c(NCCC2(CO)CC(O)C2)n1
InChIInChI=1S/C14H23N3O2/c1-9-10(2)16-11(3)17-13(9)15-5-4-14(8-18)6-12(19)7-14/h12,18-19H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyLEBHTZJXQKNMDB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.34
Rot. Bonds5

About 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol

3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol (PubChem CID 54028737) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
PubChem CID54028737
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
SMILESCc1nc(C)c(C)c(NCCC2(CO)CC(O)C2)n1
InChIInChI=1S/C14H23N3O2/c1-9-10(2)16-11(3)17-13(9)15-5-4-14(8-18)6-12(19)7-14/h12,18-19H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyLEBHTZJXQKNMDB-UHFFFAOYSA-N
XLogP1.34
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol with MolForge

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Related Compounds

(1R*,3S*)-7-[4-methyl-6-(methylamino)-2-pyrimidinyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72923080
(1-{[Methyl(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72893328
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104952884
1-(Hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
CID 53943756
3-(Hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-one
CID 54048688
[3,3-Dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol
CID 54425847
(1S,2S,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66804983
[(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 66804992
(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66805016
(2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol
CID 66805030
2-[(2,5,6-Trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 90832235
(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 170185908

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol?
The IUPAC name of 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol (CID 54028737) is 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol is Cc1nc(C)c(C)c(NCCC2(CO)CC(O)C2)n1.
What is the InChIKey of 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol?
The InChIKey is LEBHTZJXQKNMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-10(2)16-11(3)17-13(9)15-5-4-14(8-18)6-12(19)7-14/h12,18-19H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol?
3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 54028737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).