2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine

C17H15Cl2N3 — CID 122372650

IUPAC2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
SMILESClc1ccc(-c2cc3cnc(Cl)nc3n2C2CCCC2)cc1
InChIInChI=1S/C17H15Cl2N3/c18-13-7-5-11(6-8-13)15-9-12-10-20-17(19)21-16(12)22(15)14-3-1-2-4-14/h5-10,14H,1-4H2
InChIKeyAWKANSGXKDAVDM-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.52
Rot. Bonds2

About 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine

2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine (PubChem CID 122372650) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
PubChem CID122372650
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
SMILESClc1ccc(-c2cc3cnc(Cl)nc3n2C2CCCC2)cc1
InChIInChI=1S/C17H15Cl2N3/c18-13-7-5-11(6-8-13)15-9-12-10-20-17(19)21-16(12)22(15)14-3-1-2-4-14/h5-10,14H,1-4H2
InChIKeyAWKANSGXKDAVDM-UHFFFAOYSA-N
XLogP5.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine (CID 122372650) is 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine is Clc1ccc(-c2cc3cnc(Cl)nc3n2C2CCCC2)cc1.
What is the InChIKey of 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The InChIKey is AWKANSGXKDAVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-13-7-5-11(6-8-13)15-9-12-10-20-17(19)21-16(12)22(15)14-3-1-2-4-14/h5-10,14H,1-4H2.
What are the key properties of 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine has a molecular weight of 332.23 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 122372650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).