2,4,5-trichloro-7H-cyclopenta[d]pyrimidine

C7H3Cl3N2 — CID 157188782

IUPAC2,4,5-trichloro-7H-cyclopenta[d]pyrimidine
SMILESClC1=CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C7H3Cl3N2/c8-3-1-2-4-5(3)6(9)12-7(10)11-4/h1H,2H2
InChIKeyAPLGNQVIOMHFJI-UHFFFAOYSA-N
MW221.47 g/mol
LogP2.92
Rot. Bonds

About 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine

2,4,5-trichloro-7H-cyclopenta[d]pyrimidine (PubChem CID 157188782) has the molecular formula C7H3Cl3N2 and a molecular weight of 221.47 g/mol. Its IUPAC name is 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4,5-trichloro-7H-cyclopenta[d]pyrimidine
PubChem CID157188782
Molecular FormulaC7H3Cl3N2
Molecular Weight221.47 g/mol
Exact Mass219.94
IUPAC Name2,4,5-trichloro-7H-cyclopenta[d]pyrimidine
SMILESClC1=CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C7H3Cl3N2/c8-3-1-2-4-5(3)6(9)12-7(10)11-4/h1H,2H2
InChIKeyAPLGNQVIOMHFJI-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine (CID 157188782) is 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine is ClC1=CCc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine?
The InChIKey is APLGNQVIOMHFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3N2/c8-3-1-2-4-5(3)6(9)12-7(10)11-4/h1H,2H2.
What are the key properties of 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine?
2,4,5-trichloro-7H-cyclopenta[d]pyrimidine has a molecular weight of 221.47 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 157188782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).