[2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol

C12H16F2N2O — CID 114217040

IUPAC[2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(C2CCCC(F)(F)C2)ncc1CO
InChIInChI=1S/C12H16F2N2O/c1-8-10(7-17)6-15-11(16-8)9-3-2-4-12(13,14)5-9/h6,9,17H,2-5,7H2,1H3
InChIKeyHKYIIFXRCBLNCY-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.57
Rot. Bonds2

About [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol

[2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 114217040) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol
PubChem CID114217040
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(C2CCCC(F)(F)C2)ncc1CO
InChIInChI=1S/C12H16F2N2O/c1-8-10(7-17)6-15-11(16-8)9-3-2-4-12(13,14)5-9/h6,9,17H,2-5,7H2,1H3
InChIKeyHKYIIFXRCBLNCY-UHFFFAOYSA-N
XLogP2.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol (CID 114217040) is [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol is Cc1nc(C2CCCC(F)(F)C2)ncc1CO.
What is the InChIKey of [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is HKYIIFXRCBLNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-10(7-17)6-15-11(16-8)9-3-2-4-12(13,14)5-9/h6,9,17H,2-5,7H2,1H3.
What are the key properties of [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol?
[2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 242.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclohexyl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114217040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).