4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol

C11H16N2O — CID 59746554

IUPAC4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccncn2)CC1
InChIInChI=1S/C11H16N2O/c1-9-2-5-11(14,6-3-9)10-4-7-12-8-13-10/h4,7-9,14H,2-3,5-6H2,1H3
InChIKeyLGGQHMBJOSJEEI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.87
Rot. Bonds1

About 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol

4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol (PubChem CID 59746554) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol
PubChem CID59746554
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccncn2)CC1
InChIInChI=1S/C11H16N2O/c1-9-2-5-11(14,6-3-9)10-4-7-12-8-13-10/h4,7-9,14H,2-3,5-6H2,1H3
InChIKeyLGGQHMBJOSJEEI-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol?
The IUPAC name of 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol (CID 59746554) is 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol is CC1CCC(O)(c2ccncn2)CC1.
What is the InChIKey of 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol?
The InChIKey is LGGQHMBJOSJEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-2-5-11(14,6-3-9)10-4-7-12-8-13-10/h4,7-9,14H,2-3,5-6H2,1H3.
What are the key properties of 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol?
4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrimidin-4-ylcyclohexan-1-ol is sourced from PubChem (CID 59746554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).