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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Related Compounds

L-745870
CID 5311200
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
CP-154526
CID 5311055
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
Cgp-62464
CID 354471
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208

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).