4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine

C12H7ClN6 — CID 15726011

IUPAC4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1ccn2-c1ncnc2[nH]ccc12
InChIInChI=1S/C12H7ClN6/c13-9-7-2-4-19(11(7)17-5-15-9)12-8-1-3-14-10(8)16-6-18-12/h1-6H,(H,14,16,18)
InChIKeyVKXBNSZBGQFCPE-UHFFFAOYSA-N
MW270.68 g/mol
LogP2.35
Rot. Bonds1

About 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine

4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine (PubChem CID 15726011) has the molecular formula C12H7ClN6 and a molecular weight of 270.68 g/mol. Its IUPAC name is 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine
PubChem CID15726011
Molecular FormulaC12H7ClN6
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1ccn2-c1ncnc2[nH]ccc12
InChIInChI=1S/C12H7ClN6/c13-9-7-2-4-19(11(7)17-5-15-9)12-8-1-3-14-10(8)16-6-18-12/h1-6H,(H,14,16,18)
InChIKeyVKXBNSZBGQFCPE-UHFFFAOYSA-N
XLogP2.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine (CID 15726011) is 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine is Clc1ncnc2c1ccn2-c1ncnc2[nH]ccc12.
What is the InChIKey of 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is VKXBNSZBGQFCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN6/c13-9-7-2-4-19(11(7)17-5-15-9)12-8-1-3-14-10(8)16-6-18-12/h1-6H,(H,14,16,18).
What are the key properties of 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine?
4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 270.68 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 15726011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).