4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine

C18H12ClN3 — CID 2049536

IUPAC4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C18H12ClN3/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H
InChIKeyINLZGZMAUAHURP-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.74
Rot. Bonds2

About 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine

4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine (PubChem CID 2049536) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine
PubChem CID2049536
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C18H12ClN3/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H
InChIKeyINLZGZMAUAHURP-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine (CID 2049536) is 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine is Clc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1.
What is the InChIKey of 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is INLZGZMAUAHURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine?
4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 305.77 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-diphenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 2049536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).