2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol

C20H25N3O — CID 90338549

IUPAC2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2nc(C3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C20H25N3O/c24-13-12-14-8-10-16(11-9-14)21-20-17-6-3-7-18(17)22-19(23-20)15-4-1-2-5-15/h8-11,15,24H,1-7,12-13H2,(H,21,22,23)
InChIKeyPSHVYALUPOLBAE-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.90
Rot. Bonds5

About 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol

2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol (PubChem CID 90338549) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol
PubChem CID90338549
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2nc(C3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C20H25N3O/c24-13-12-14-8-10-16(11-9-14)21-20-17-6-3-7-18(17)22-19(23-20)15-4-1-2-5-15/h8-11,15,24H,1-7,12-13H2,(H,21,22,23)
InChIKeyPSHVYALUPOLBAE-UHFFFAOYSA-N
XLogP3.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol (CID 90338549) is 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol is OCCc1ccc(Nc2nc(C3CCCC3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol?
The InChIKey is PSHVYALUPOLBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-13-12-14-8-10-16(11-9-14)21-20-17-6-3-7-18(17)22-19(23-20)15-4-1-2-5-15/h8-11,15,24H,1-7,12-13H2,(H,21,22,23).
What are the key properties of 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol?
2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol has a molecular weight of 323.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]ethanol is sourced from PubChem (CID 90338549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).