4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H10ClN3 — CID 47003418

IUPAC4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C12H10ClN3/c13-11-9-4-1-5-10(9)15-12(16-11)8-3-2-6-14-7-8/h2-3,6-7H,1,4-5H2
InChIKeySCTJKAUVNFUNMG-UHFFFAOYSA-N
MW231.69 g/mol
LogP2.68
Rot. Bonds1

About 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 47003418) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID47003418
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C12H10ClN3/c13-11-9-4-1-5-10(9)15-12(16-11)8-3-2-6-14-7-8/h2-3,6-7H,1,4-5H2
InChIKeySCTJKAUVNFUNMG-UHFFFAOYSA-N
XLogP2.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 47003418) is 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(-c2cccnc2)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is SCTJKAUVNFUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-11-9-4-1-5-10(9)15-12(16-11)8-3-2-6-14-7-8/h2-3,6-7H,1,4-5H2.
What are the key properties of 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 231.69 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 47003418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).