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

C13H10Cl2N2 — CID 58075463

IUPAC2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)C(c1ccccc1)CC2
InChIInChI=1S/C13H10Cl2N2/c14-12-10-7-6-9(8-4-2-1-3-5-8)11(10)16-13(15)17-12/h1-5,9H,6-7H2
InChIKeyIPFZARHKKQXZPN-UHFFFAOYSA-N
MW265.14 g/mol
LogP3.86
Rot. Bonds1

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

2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 58075463) has the molecular formula C13H10Cl2N2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID58075463
Molecular FormulaC13H10Cl2N2
Molecular Weight265.14 g/mol
Exact Mass264.02
IUPAC Name2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)C(c1ccccc1)CC2
InChIInChI=1S/C13H10Cl2N2/c14-12-10-7-6-9(8-4-2-1-3-5-8)11(10)16-13(15)17-12/h1-5,9H,6-7H2
InChIKeyIPFZARHKKQXZPN-UHFFFAOYSA-N
XLogP3.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 58075463) is 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(Cl)c2c(n1)C(c1ccccc1)CC2.
What is the InChIKey of 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is IPFZARHKKQXZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2/c14-12-10-7-6-9(8-4-2-1-3-5-8)11(10)16-13(15)17-12/h1-5,9H,6-7H2.
What are the key properties of 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 265.14 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58075463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).