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

C19H25N3O — CID 90109870

IUPAC2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol
SMILESCCc1cc(Nc2ccc(CCO)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C19H25N3O/c1-2-16-13-18(22-19(21-16)15-5-3-4-6-15)20-17-9-7-14(8-10-17)11-12-23/h7-10,13,15,23H,2-6,11-12H2,1H3,(H,20,21,22)
InChIKeyYISZFMPYOVJXTH-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.97
Rot. Bonds6

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

2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol (PubChem CID 90109870) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol
PubChem CID90109870
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol
SMILESCCc1cc(Nc2ccc(CCO)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C19H25N3O/c1-2-16-13-18(22-19(21-16)15-5-3-4-6-15)20-17-9-7-14(8-10-17)11-12-23/h7-10,13,15,23H,2-6,11-12H2,1H3,(H,20,21,22)
InChIKeyYISZFMPYOVJXTH-UHFFFAOYSA-N
XLogP3.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol (CID 90109870) is 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol is CCc1cc(Nc2ccc(CCO)cc2)nc(C2CCCC2)n1.
What is the InChIKey of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol?
The InChIKey is YISZFMPYOVJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-16-13-18(22-19(21-16)15-5-3-4-6-15)20-17-9-7-14(8-10-17)11-12-23/h7-10,13,15,23H,2-6,11-12H2,1H3,(H,20,21,22).
What are the key properties of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol?
2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol has a molecular weight of 311.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)amino]phenyl]ethanol is sourced from PubChem (CID 90109870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).