4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

C13H21N3O — CID 65118410

IUPAC4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1ccnc(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-10-3-6-13(17,7-4-10)9-15-12-14-8-5-11(2)16-12/h5,8,10,17H,3-4,6-7,9H2,1-2H3,(H,14,15,16)
InChIKeyZELYNFMGNJOANV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds3

About 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65118410) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65118410
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1ccnc(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-10-3-6-13(17,7-4-10)9-15-12-14-8-5-11(2)16-12/h5,8,10,17H,3-4,6-7,9H2,1-2H3,(H,14,15,16)
InChIKeyZELYNFMGNJOANV-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 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65118410) is 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is Cc1ccnc(NCC2(O)CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZELYNFMGNJOANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-3-6-13(17,7-4-10)9-15-12-14-8-5-11(2)16-12/h5,8,10,17H,3-4,6-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol 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 4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).