[6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol

C12H16N2O — CID 118230586

IUPAC[6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol
SMILESCC1CC=C(c2cc(CO)ncn2)CC1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)12-6-11(7-15)13-8-14-12/h4,6,8-9,15H,2-3,5,7H2,1H3
InChIKeyMQIYSQGDQVOLFY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.17
Rot. Bonds2

About [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol

[6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol (PubChem CID 118230586) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol
PubChem CID118230586
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol
SMILESCC1CC=C(c2cc(CO)ncn2)CC1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)12-6-11(7-15)13-8-14-12/h4,6,8-9,15H,2-3,5,7H2,1H3
InChIKeyMQIYSQGDQVOLFY-UHFFFAOYSA-N
XLogP2.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol (CID 118230586) is [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol is CC1CC=C(c2cc(CO)ncn2)CC1.
What is the InChIKey of [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol?
The InChIKey is MQIYSQGDQVOLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)12-6-11(7-15)13-8-14-12/h4,6,8-9,15H,2-3,5,7H2,1H3.
What are the key properties of [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol?
[6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 118230586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).