1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol

C23H26N4O — CID 133435533

IUPAC1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN(Cc1ccccc1)c1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C23H26N4O/c1-23(2,28)16-27(15-17-7-4-3-5-8-17)22-19-9-6-10-20(19)25-21(26-22)18-11-13-24-14-12-18/h3-5,7-8,11-14,28H,6,9-10,15-16H2,1-2H3
InChIKeyGPUGQGZKQNEHOM-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.80
Rot. Bonds6

About 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 133435533) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID133435533
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN(Cc1ccccc1)c1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C23H26N4O/c1-23(2,28)16-27(15-17-7-4-3-5-8-17)22-19-9-6-10-20(19)25-21(26-22)18-11-13-24-14-12-18/h3-5,7-8,11-14,28H,6,9-10,15-16H2,1-2H3
InChIKeyGPUGQGZKQNEHOM-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 133435533) is 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CN(Cc1ccccc1)c1nc(-c2ccncc2)nc2c1CCC2.
What is the InChIKey of 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is GPUGQGZKQNEHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2,28)16-27(15-17-7-4-3-5-8-17)22-19-9-6-10-20(19)25-21(26-22)18-11-13-24-14-12-18/h3-5,7-8,11-14,28H,6,9-10,15-16H2,1-2H3.
What are the key properties of 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 374.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 133435533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).