[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol

C13H21N3O — CID 62699549

IUPAC[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ncccn2)C1
InChIInChI=1S/C13H21N3O/c1-11-4-2-5-13(8-11,10-17)16-9-12-14-6-3-7-15-12/h3,6-7,11,16-17H,2,4-5,8-10H2,1H3
InChIKeyMCRHMZWIESSJGB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.51
Rot. Bonds4

About [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol

[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol (PubChem CID 62699549) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
PubChem CID62699549
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ncccn2)C1
InChIInChI=1S/C13H21N3O/c1-11-4-2-5-13(8-11,10-17)16-9-12-14-6-3-7-15-12/h3,6-7,11,16-17H,2,4-5,8-10H2,1H3
InChIKeyMCRHMZWIESSJGB-UHFFFAOYSA-N
XLogP1.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol (CID 62699549) is [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol is CC1CCCC(CO)(NCc2ncccn2)C1.
What is the InChIKey of [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
The InChIKey is MCRHMZWIESSJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-2-5-13(8-11,10-17)16-9-12-14-6-3-7-15-12/h3,6-7,11,16-17H,2,4-5,8-10H2,1H3.
What are the key properties of [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62699549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).