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

C7H4Cl2N2 — CID 58054949

IUPAC2,4-dichloro-7H-cyclopenta[d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CC=C2
InChIInChI=1S/C7H4Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-2H,3H2
InChIKeyPMJIWUZHYRESQQ-UHFFFAOYSA-N
MW187.03 g/mol
LogP2.35
Rot. Bonds

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

2,4-dichloro-7H-cyclopenta[d]pyrimidine (PubChem CID 58054949) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 2,4-dichloro-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7H-cyclopenta[d]pyrimidine
PubChem CID58054949
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name2,4-dichloro-7H-cyclopenta[d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CC=C2
InChIInChI=1S/C7H4Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-2H,3H2
InChIKeyPMJIWUZHYRESQQ-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
2,4-Dichloro-5,6-diethylpyrimidine
CID 22951070
4-chloro-5-fluoro-7-methyl-7H-cyclopenta[d]pyrimidine
CID 88890007
4-chloro-2-[(3Z)-5-chloro-2-fluorohexa-1,3,5-trien-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 143207188
4-Chloro-6-(2-chloro-7-fluoro-6-methylcyclohepta-1,3,6-trien-1-yl)pyrimidin-2-amine
CID 143331024
4-chloro-6-[(2E,4E)-5-fluorohepta-2,4,6-trien-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 153593835
2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine
CID 171059161
2,4-dichloro-5-fluoro-7H-cyclopenta[d]pyrimidine
CID 159490222
4-Chloro-6-ethyl-5-methylpyrimidin-2-amine
CID 820236
2,4-Dichloro-6-ethyl-5-methylpyrimidine
CID 18921712
2,4-Dichloro-6-methyl-5-propylpyrimidine
CID 22313152
4-chloro-5H-cyclopenta[d]pyrimidine
CID 58158398

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dichloro-7H-cyclopenta[d]pyrimidine (CID 58054949) is 2,4-dichloro-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7H-cyclopenta[d]pyrimidine is Clc1nc(Cl)c2c(n1)CC=C2.
What is the InChIKey of 2,4-dichloro-7H-cyclopenta[d]pyrimidine?
The InChIKey is PMJIWUZHYRESQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-2H,3H2.
What are the key properties of 2,4-dichloro-7H-cyclopenta[d]pyrimidine?
2,4-dichloro-7H-cyclopenta[d]pyrimidine has a molecular weight of 187.03 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58054949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).