4-chloro-5H-cyclopenta[d]pyrimidine

C7H5ClN2 — CID 58158398

IUPAC4-chloro-5H-cyclopenta[d]pyrimidine
SMILESClc1ncnc2c1CC=C2
InChIInChI=1S/C7H5ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h1,3-4H,2H2
InChIKeyWJRZOJRUGHOUPS-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.70
Rot. Bonds

About 4-chloro-5H-cyclopenta[d]pyrimidine

4-chloro-5H-cyclopenta[d]pyrimidine (PubChem CID 58158398) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 4-chloro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5H-cyclopenta[d]pyrimidine
PubChem CID58158398
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name4-chloro-5H-cyclopenta[d]pyrimidine
SMILESClc1ncnc2c1CC=C2
InChIInChI=1S/C7H5ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h1,3-4H,2H2
InChIKeyWJRZOJRUGHOUPS-UHFFFAOYSA-N
XLogP1.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-5-ethyl-6-methylpyrimidine
CID 61252025
4-Chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine
CID 168894448
5h-Cyclopenta[d]pyrimidine
CID 45080554
4-chloro-5-fluoro-7-methyl-7H-cyclopenta[d]pyrimidine
CID 88890007
4-chloro-5-[(E)-1-fluorobut-1-enyl]-6-methylpyrimidine
CID 144030431
2,4-dichloro-6,7-difluoro-5H-cyclopenta[d]pyrimidine
CID 171059161
2,4-dichloro-5-fluoro-7H-cyclopenta[d]pyrimidine
CID 159490222
2,4-dichloro-7H-cyclopenta[d]pyrimidine
CID 58054949
5H-cyclopenta[d]pyrimidin-4-amine
CID 58158388
2-chloro-7H-cyclopenta[d]pyrimidine
CID 58170458
2,4-dichloro-5H-cyclopenta[d]pyrimidine
CID 58191073
2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine
CID 58228889

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-5H-cyclopenta[d]pyrimidine (CID 58158398) is 4-chloro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-5H-cyclopenta[d]pyrimidine is Clc1ncnc2c1CC=C2.
What is the InChIKey of 4-chloro-5H-cyclopenta[d]pyrimidine?
The InChIKey is WJRZOJRUGHOUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h1,3-4H,2H2.
What are the key properties of 4-chloro-5H-cyclopenta[d]pyrimidine?
4-chloro-5H-cyclopenta[d]pyrimidine has a molecular weight of 152.58 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58158398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).