4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H8Cl2F2N2 — CID 59686246

IUPAC4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1cc(-c2nc(Cl)c3c(n2)CCC3)cc(F)c1Cl
InChIInChI=1S/C13H8Cl2F2N2/c14-11-8(16)4-6(5-9(11)17)13-18-10-3-1-2-7(10)12(15)19-13/h4-5H,1-3H2
InChIKeyHFMJUHZRPPHKDR-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.22
Rot. Bonds1

About 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 59686246) has the molecular formula C13H8Cl2F2N2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID59686246
Molecular FormulaC13H8Cl2F2N2
Molecular Weight301.12 g/mol
Exact Mass300.00
IUPAC Name4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1cc(-c2nc(Cl)c3c(n2)CCC3)cc(F)c1Cl
InChIInChI=1S/C13H8Cl2F2N2/c14-11-8(16)4-6(5-9(11)17)13-18-10-3-1-2-7(10)12(15)19-13/h4-5H,1-3H2
InChIKeyHFMJUHZRPPHKDR-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 59686246) is 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1cc(-c2nc(Cl)c3c(n2)CCC3)cc(F)c1Cl.
What is the InChIKey of 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HFMJUHZRPPHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2/c14-11-8(16)4-6(5-9(11)17)13-18-10-3-1-2-7(10)12(15)19-13/h4-5H,1-3H2.
What are the key properties of 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 301.12 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-3,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59686246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).