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

C7H2Cl2F2N2 — CID 171059161

IUPAC2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine
SMILESFC1=C(F)c2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C7H2Cl2F2N2/c8-6-2-1-3(10)4(11)5(2)12-7(9)13-6/h1H2
InChIKeyCMXQQRAIRMYNOJ-UHFFFAOYSA-N
MW223.01 g/mol
LogP2.95
Rot. Bonds

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

2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine (PubChem CID 171059161) has the molecular formula C7H2Cl2F2N2 and a molecular weight of 223.01 g/mol. Its IUPAC name is 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine
PubChem CID171059161
Molecular FormulaC7H2Cl2F2N2
Molecular Weight223.01 g/mol
Exact Mass221.96
IUPAC Name2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine
SMILESFC1=C(F)c2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C7H2Cl2F2N2/c8-6-2-1-3(10)4(11)5(2)12-7(9)13-6/h1H2
InChIKeyCMXQQRAIRMYNOJ-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-ethyl-6-methylpyrimidine
CID 89761070
2,4-Dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
CID 129278766
2,4-Dichloro-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidine
CID 154663265
N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine
CID 167120102
2,4-dichloro-5-fluoro-7H-cyclopenta[d]pyrimidine
CID 159490222
2,4-dichloro-7H-cyclopenta[d]pyrimidine
CID 58054949
4-chloro-5H-cyclopenta[d]pyrimidine
CID 58158398
2,4-dichloro-5H-cyclopenta[d]pyrimidine
CID 58191073
2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine
CID 59073944
2,4-Dichloro-7,7-dimethylcyclopenta[d]pyrimidine
CID 117989850
2,4-Dichloro-5,7-dihydrocyclopenta[d]pyrimidin-7-ide;yttrium
CID 146966453
2,4,5-trichloro-7H-cyclopenta[d]pyrimidine
CID 157188782

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine (CID 171059161) is 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine is FC1=C(F)c2nc(Cl)nc(Cl)c2C1.
What is the InChIKey of 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine?
The InChIKey is CMXQQRAIRMYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2N2/c8-6-2-1-3(10)4(11)5(2)12-7(9)13-6/h1H2.
What are the key properties of 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine?
2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine has a molecular weight of 223.01 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 171059161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).