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

C11H9ClN4 — CID 63985247

IUPAC4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(-c2ccncn2)nc2c1CCC2
InChIInChI=1S/C11H9ClN4/c12-10-7-2-1-3-8(7)15-11(16-10)9-4-5-13-6-14-9/h4-6H,1-3H2
InChIKeyWXELRPJUBQUDQR-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.08
Rot. Bonds1

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

4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 63985247) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID63985247
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(-c2ccncn2)nc2c1CCC2
InChIInChI=1S/C11H9ClN4/c12-10-7-2-1-3-8(7)15-11(16-10)9-4-5-13-6-14-9/h4-6H,1-3H2
InChIKeyWXELRPJUBQUDQR-UHFFFAOYSA-N
XLogP2.08
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 63985247) is 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(-c2ccncn2)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is WXELRPJUBQUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-10-7-2-1-3-8(7)15-11(16-10)9-4-5-13-6-14-9/h4-6H,1-3H2.
What are the key properties of 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 232.67 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 63985247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).