2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C19H16N2 — CID 6426041

IUPAC2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(-c4ccccc4)n2)CCC3)cc1
InChIInChI=1S/C19H16N2/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)20-19(21-18)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyOQFNVGBVGLVVJD-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.30
Rot. Bonds2

About 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 6426041) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID6426041
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(-c4ccccc4)n2)CCC3)cc1
InChIInChI=1S/C19H16N2/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)20-19(21-18)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyOQFNVGBVGLVVJD-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 6426041) is 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ccc(-c2nc3c(c(-c4ccccc4)n2)CCC3)cc1.
What is the InChIKey of 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is OQFNVGBVGLVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)20-19(21-18)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 272.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 6426041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).