4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H15ClN2 — CID 59362936

IUPAC4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2CCCC2)nc2c1CCC2
InChIInChI=1S/C12H15ClN2/c13-11-9-6-3-7-10(9)14-12(15-11)8-4-1-2-5-8/h8H,1-7H2
InChIKeyPDRKSSGKRMTIEK-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.28
Rot. Bonds1

About 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 59362936) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID59362936
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2CCCC2)nc2c1CCC2
InChIInChI=1S/C12H15ClN2/c13-11-9-6-3-7-10(9)14-12(15-11)8-4-1-2-5-8/h8H,1-7H2
InChIKeyPDRKSSGKRMTIEK-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 59362936) is 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(C2CCCC2)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PDRKSSGKRMTIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-11-9-6-3-7-10(9)14-12(15-11)8-4-1-2-5-8/h8H,1-7H2.
What are the key properties of 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 222.72 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59362936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).