[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol

C11H17N3O — CID 115899064

IUPAC[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESCc1cc(NC2(CO)CCC2)nc(C)n1
InChIInChI=1S/C11H17N3O/c1-8-6-10(13-9(2)12-8)14-11(7-15)4-3-5-11/h6,15H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyGXMKMXQCZAUAAU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.42
Rot. Bonds3

About [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol

[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol (PubChem CID 115899064) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
PubChem CID115899064
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESCc1cc(NC2(CO)CCC2)nc(C)n1
InChIInChI=1S/C11H17N3O/c1-8-6-10(13-9(2)12-8)14-11(7-15)4-3-5-11/h6,15H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyGXMKMXQCZAUAAU-UHFFFAOYSA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol (CID 115899064) is [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol is Cc1cc(NC2(CO)CCC2)nc(C)n1.
What is the InChIKey of [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol?
The InChIKey is GXMKMXQCZAUAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-10(13-9(2)12-8)14-11(7-15)4-3-5-11/h6,15H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol?
[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol has a molecular weight of 207.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 115899064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).