2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol

C20H26N2O — CID 90111750

IUPAC2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol
SMILESCCc1cc(Cc2ccc(CCO)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C20H26N2O/c1-2-18-14-19(22-20(21-18)17-5-3-4-6-17)13-16-9-7-15(8-10-16)11-12-23/h7-10,14,17,23H,2-6,11-13H2,1H3
InChIKeyNOEDXAQPKFWPID-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol

2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol (PubChem CID 90111750) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol
PubChem CID90111750
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol
SMILESCCc1cc(Cc2ccc(CCO)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C20H26N2O/c1-2-18-14-19(22-20(21-18)17-5-3-4-6-17)13-16-9-7-15(8-10-16)11-12-23/h7-10,14,17,23H,2-6,11-13H2,1H3
InChIKeyNOEDXAQPKFWPID-UHFFFAOYSA-N
XLogP3.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol (CID 90111750) is 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol is CCc1cc(Cc2ccc(CCO)cc2)nc(C2CCCC2)n1.
What is the InChIKey of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol?
The InChIKey is NOEDXAQPKFWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-18-14-19(22-20(21-18)17-5-3-4-6-17)13-16-9-7-15(8-10-16)11-12-23/h7-10,14,17,23H,2-6,11-13H2,1H3.
What are the key properties of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol?
2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol has a molecular weight of 310.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]ethanol is sourced from PubChem (CID 90111750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).