[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol

C13H21N3O — CID 63208586

IUPAC[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCc1cnc(NC2(CO)CCCC(C)C2)nc1
InChIInChI=1S/C13H21N3O/c1-10-4-3-5-13(6-10,9-17)16-12-14-7-11(2)8-15-12/h7-8,10,17H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyJHKLHNJMMPANPP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds3

About [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol

[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 63208586) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID63208586
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCc1cnc(NC2(CO)CCCC(C)C2)nc1
InChIInChI=1S/C13H21N3O/c1-10-4-3-5-13(6-10,9-17)16-12-14-7-11(2)8-15-12/h7-8,10,17H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyJHKLHNJMMPANPP-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol (CID 63208586) is [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol is Cc1cnc(NC2(CO)CCCC(C)C2)nc1.
What is the InChIKey of [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is JHKLHNJMMPANPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-3-5-13(6-10,9-17)16-12-14-7-11(2)8-15-12/h7-8,10,17H,3-6,9H2,1-2H3,(H,14,15,16).
What are the key properties of [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 63208586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).