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

C20H14N4 — CID 4902868

IUPAC5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1ccccc1-n1cc(C#N)c2ncnc(-c3ccccc3)c21
InChIInChI=1S/C20H14N4/c1-14-7-5-6-10-17(14)24-12-16(11-21)19-20(24)18(22-13-23-19)15-8-3-2-4-9-15/h2-10,12-13H,1H3
InChIKeyRWDXLTWHMSGVRB-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.27
Rot. Bonds2

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

5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 4902868) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID4902868
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1ccccc1-n1cc(C#N)c2ncnc(-c3ccccc3)c21
InChIInChI=1S/C20H14N4/c1-14-7-5-6-10-17(14)24-12-16(11-21)19-20(24)18(22-13-23-19)15-8-3-2-4-9-15/h2-10,12-13H,1H3
InChIKeyRWDXLTWHMSGVRB-UHFFFAOYSA-N
XLogP4.27
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 4902868) is 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile is Cc1ccccc1-n1cc(C#N)c2ncnc(-c3ccccc3)c21.
What is the InChIKey of 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is RWDXLTWHMSGVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-14-7-5-6-10-17(14)24-12-16(11-21)19-20(24)18(22-13-23-19)15-8-3-2-4-9-15/h2-10,12-13H,1H3.
What are the key properties of 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 4902868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).