2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C13H21N3O — CID 64910837

IUPAC2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCCCC2O)nc(C)n1
InChIInChI=1S/C13H21N3O/c1-9-7-13(16-10(2)15-9)14-8-11-5-3-4-6-12(11)17/h7,11-12,17H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyNVUAGSUERPTWGZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.06
Rot. Bonds3

About 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64910837) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64910837
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCCCC2O)nc(C)n1
InChIInChI=1S/C13H21N3O/c1-9-7-13(16-10(2)15-9)14-8-11-5-3-4-6-12(11)17/h7,11-12,17H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyNVUAGSUERPTWGZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 64910837) is 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1cc(NCC2CCCCC2O)nc(C)n1.
What is the InChIKey of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is NVUAGSUERPTWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-13(16-10(2)15-9)14-8-11-5-3-4-6-12(11)17/h7,11-12,17H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64910837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).