3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol

C13H21N3O — CID 106124355

IUPAC3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1nccc(CNCC2CCCC(O)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-15-6-5-12(16-10)9-14-8-11-3-2-4-13(17)7-11/h5-6,11,13-14,17H,2-4,7-9H2,1H3
InChIKeyAKQQCNYZTXTSBU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.43
Rot. Bonds4

About 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol

3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106124355) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106124355
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1nccc(CNCC2CCCC(O)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-15-6-5-12(16-10)9-14-8-11-3-2-4-13(17)7-11/h5-6,11,13-14,17H,2-4,7-9H2,1H3
InChIKeyAKQQCNYZTXTSBU-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 106124355) is 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol is Cc1nccc(CNCC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is AKQQCNYZTXTSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-15-6-5-12(16-10)9-14-8-11-3-2-4-13(17)7-11/h5-6,11,13-14,17H,2-4,7-9H2,1H3.
What are the key properties of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).