4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol

C13H21N3O — CID 65116294

IUPAC4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2ncccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-13(17,6-4-11)10-14-9-12-15-7-2-8-16-12/h2,7-8,11,14,17H,3-6,9-10H2,1H3
InChIKeyCCYYWRLTZBAMON-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.51
Rot. Bonds4

About 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 65116294) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID65116294
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2ncccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-13(17,6-4-11)10-14-9-12-15-7-2-8-16-12/h2,7-8,11,14,17H,3-6,9-10H2,1H3
InChIKeyCCYYWRLTZBAMON-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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Related Compounds

1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123258
4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65118041
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115613
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118652
4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115239
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114598931

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 65116294) is 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNCc2ncccn2)CC1.
What is the InChIKey of 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is CCYYWRLTZBAMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-3-5-13(17,6-4-11)10-14-9-12-15-7-2-8-16-12/h2,7-8,11,14,17H,3-6,9-10H2,1H3.
What are the key properties of 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol 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 4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).