2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol

C23H26N4O — CID 133356856

IUPAC2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol
SMILESCCN(CC(O)c1ccc(C)cc1)c1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C23H26N4O/c1-3-27(15-21(28)17-9-7-16(2)8-10-17)23-19-5-4-6-20(19)25-22(26-23)18-11-13-24-14-12-18/h7-14,21,28H,3-6,15H2,1-2H3
InChIKeyXGSCQIFWBGRRIU-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.90
Rot. Bonds6

About 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol

2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol (PubChem CID 133356856) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol
PubChem CID133356856
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol
SMILESCCN(CC(O)c1ccc(C)cc1)c1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C23H26N4O/c1-3-27(15-21(28)17-9-7-16(2)8-10-17)23-19-5-4-6-20(19)25-22(26-23)18-11-13-24-14-12-18/h7-14,21,28H,3-6,15H2,1-2H3
InChIKeyXGSCQIFWBGRRIU-UHFFFAOYSA-N
XLogP3.90
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol (CID 133356856) is 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol is CCN(CC(O)c1ccc(C)cc1)c1nc(-c2ccncc2)nc2c1CCC2.
What is the InChIKey of 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol?
The InChIKey is XGSCQIFWBGRRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-27(15-21(28)17-9-7-16(2)8-10-17)23-19-5-4-6-20(19)25-22(26-23)18-11-13-24-14-12-18/h7-14,21,28H,3-6,15H2,1-2H3.
What are the key properties of 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol?
2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol has a molecular weight of 374.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 133356856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).