4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C7H7ClN2 — CID 13312449

IUPAC4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1ncnc2c1CCC2
InChIInChI=1S/C7H7ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2
InChIKeyQFBRTAZCGKXPJK-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.62
Rot. Bonds

About 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 13312449) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID13312449
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1ncnc2c1CCC2
InChIInChI=1S/C7H7ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2
InChIKeyQFBRTAZCGKXPJK-UHFFFAOYSA-N
XLogP1.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 13312449) is 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1ncnc2c1CCC2.
What is the InChIKey of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is QFBRTAZCGKXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2.
What are the key properties of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 154.60 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 13312449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).