cycloheptyl-(5-methylpyrimidin-2-yl)methanol

C13H20N2O — CID 82931992

IUPACcycloheptyl-(5-methylpyrimidin-2-yl)methanol
SMILESCc1cnc(C(O)C2CCCCCC2)nc1
InChIInChI=1S/C13H20N2O/c1-10-8-14-13(15-9-10)12(16)11-6-4-2-3-5-7-11/h8-9,11-12,16H,2-7H2,1H3
InChIKeyYPBRIUYXJLMPDS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.79
Rot. Bonds2

About cycloheptyl-(5-methylpyrimidin-2-yl)methanol

cycloheptyl-(5-methylpyrimidin-2-yl)methanol (PubChem CID 82931992) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is cycloheptyl-(5-methylpyrimidin-2-yl)methanol.

Molecular Properties

Compound Namecycloheptyl-(5-methylpyrimidin-2-yl)methanol
PubChem CID82931992
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namecycloheptyl-(5-methylpyrimidin-2-yl)methanol
SMILESCc1cnc(C(O)C2CCCCCC2)nc1
InChIInChI=1S/C13H20N2O/c1-10-8-14-13(15-9-10)12(16)11-6-4-2-3-5-7-11/h8-9,11-12,16H,2-7H2,1H3
InChIKeyYPBRIUYXJLMPDS-UHFFFAOYSA-N
XLogP2.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
[cycloheptyl-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261503
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155
(1R)-1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 134543108
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
cyclopentyl-(4-methyl-2-pyridinyl)methanol
CID 63839909
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115373791
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
cycloheptyl-(3-fluoro-5-methylphenyl)methanol
CID 79703242
cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol
CID 130541405
cyclohexyl-(2-methyltriazol-4-yl)methanol
CID 130521712

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(5-methylpyrimidin-2-yl)methanol?
The IUPAC name of cycloheptyl-(5-methylpyrimidin-2-yl)methanol (CID 82931992) is cycloheptyl-(5-methylpyrimidin-2-yl)methanol.
What is the SMILES notation for cycloheptyl-(5-methylpyrimidin-2-yl)methanol?
The canonical SMILES for cycloheptyl-(5-methylpyrimidin-2-yl)methanol is Cc1cnc(C(O)C2CCCCCC2)nc1.
What is the InChIKey of cycloheptyl-(5-methylpyrimidin-2-yl)methanol?
The InChIKey is YPBRIUYXJLMPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-14-13(15-9-10)12(16)11-6-4-2-3-5-7-11/h8-9,11-12,16H,2-7H2,1H3.
What are the key properties of cycloheptyl-(5-methylpyrimidin-2-yl)methanol?
cycloheptyl-(5-methylpyrimidin-2-yl)methanol has a molecular weight of 220.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(5-methylpyrimidin-2-yl)methanol is sourced from PubChem (CID 82931992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).