4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine

C19H14ClN3 — CID 2049551

IUPAC4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1
InChIInChI=1S/C19H14ClN3/c1-13-7-9-15(10-8-13)23-11-16(14-5-3-2-4-6-14)17-18(20)21-12-22-19(17)23/h2-12H,1H3
InChIKeyYXFXRKMVZRLEBX-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.05
Rot. Bonds2

About 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine

4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 2049551) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID2049551
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1
InChIInChI=1S/C19H14ClN3/c1-13-7-9-15(10-8-13)23-11-16(14-5-3-2-4-6-14)17-18(20)21-12-22-19(17)23/h2-12H,1H3
InChIKeyYXFXRKMVZRLEBX-UHFFFAOYSA-N
XLogP5.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine (CID 2049551) is 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine is Cc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1.
What is the InChIKey of 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is YXFXRKMVZRLEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c1-13-7-9-15(10-8-13)23-11-16(14-5-3-2-4-6-14)17-18(20)21-12-22-19(17)23/h2-12H,1H3.
What are the key properties of 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 319.80 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 2049551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).