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

C21H19N3O2 — CID 71624844

IUPAC2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CCC3)cc1
InChIInChI=1S/C21H19N3O2/c25-19(26)13-14-9-11-16(12-10-14)22-21-17-7-4-8-18(17)23-20(24-21)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2,(H,25,26)(H,22,23,24)
InChIKeyCGBXBUBISICLAU-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.00
Rot. Bonds5

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

2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid (PubChem CID 71624844) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid
PubChem CID71624844
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CCC3)cc1
InChIInChI=1S/C21H19N3O2/c25-19(26)13-14-9-11-16(12-10-14)22-21-17-7-4-8-18(17)23-20(24-21)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2,(H,25,26)(H,22,23,24)
InChIKeyCGBXBUBISICLAU-UHFFFAOYSA-N
XLogP4.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid (CID 71624844) is 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The InChIKey is CGBXBUBISICLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19(26)13-14-9-11-16(12-10-14)22-21-17-7-4-8-18(17)23-20(24-21)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2,(H,25,26)(H,22,23,24).
What are the key properties of 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid?
2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid has a molecular weight of 345.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 71624844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).