[4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol

C12H16F2N2O — CID 114205173

IUPAC[4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol
SMILESCC1CCC(c2ncc(CO)c(C(F)F)n2)C1
InChIInChI=1S/C12H16F2N2O/c1-7-2-3-8(4-7)12-15-5-9(6-17)10(16-12)11(13)14/h5,7-8,11,17H,2-4,6H2,1H3
InChIKeyJXXGHLZZWLBBLF-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.81
Rot. Bonds3

About [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol

[4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol (PubChem CID 114205173) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol
PubChem CID114205173
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol
SMILESCC1CCC(c2ncc(CO)c(C(F)F)n2)C1
InChIInChI=1S/C12H16F2N2O/c1-7-2-3-8(4-7)12-15-5-9(6-17)10(16-12)11(13)14/h5,7-8,11,17H,2-4,6H2,1H3
InChIKeyJXXGHLZZWLBBLF-UHFFFAOYSA-N
XLogP2.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol (CID 114205173) is [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol is CC1CCC(c2ncc(CO)c(C(F)F)n2)C1.
What is the InChIKey of [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol?
The InChIKey is JXXGHLZZWLBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7-2-3-8(4-7)12-15-5-9(6-17)10(16-12)11(13)14/h5,7-8,11,17H,2-4,6H2,1H3.
What are the key properties of [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol has a molecular weight of 242.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).