2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol

C24H28N4O — CID 133400357

IUPAC2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC(C)(CO)C(CNc1nc(-c2ccccn2)nc2c1CCC2)c1ccccc1
InChIInChI=1S/C24H28N4O/c1-24(2,16-29)19(17-9-4-3-5-10-17)15-26-22-18-11-8-13-20(18)27-23(28-22)21-12-6-7-14-25-21/h3-7,9-10,12,14,19,29H,8,11,13,15-16H2,1-2H3,(H,26,27,28)
InChIKeyFYXXSPVLFRIKRS-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.24
Rot. Bonds7

About 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol

2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 133400357) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID133400357
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC(C)(CO)C(CNc1nc(-c2ccccn2)nc2c1CCC2)c1ccccc1
InChIInChI=1S/C24H28N4O/c1-24(2,16-29)19(17-9-4-3-5-10-17)15-26-22-18-11-8-13-20(18)27-23(28-22)21-12-6-7-14-25-21/h3-7,9-10,12,14,19,29H,8,11,13,15-16H2,1-2H3,(H,26,27,28)
InChIKeyFYXXSPVLFRIKRS-UHFFFAOYSA-N
XLogP4.24
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol (CID 133400357) is 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol is CC(C)(CO)C(CNc1nc(-c2ccccn2)nc2c1CCC2)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is FYXXSPVLFRIKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-24(2,16-29)19(17-9-4-3-5-10-17)15-26-22-18-11-8-13-20(18)27-23(28-22)21-12-6-7-14-25-21/h3-7,9-10,12,14,19,29H,8,11,13,15-16H2,1-2H3,(H,26,27,28).
What are the key properties of 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol?
2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 388.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 133400357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).