7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine

C26H21N3S — CID 102105855

IUPAC7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(-c3ccccc3)cc2)c2ccn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C26H21N3S/c1-18-8-14-22(15-9-18)29-17-16-23-24(27-26(30-2)28-25(23)29)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-17H,1-2H3
InChIKeyZFCYBINVAMFVAA-UHFFFAOYSA-N
MW407.54 g/mol
LogP6.78
Rot. Bonds4

About 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine

7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 102105855) has the molecular formula C26H21N3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine
PubChem CID102105855
Molecular FormulaC26H21N3S
Molecular Weight407.54 g/mol
Exact Mass407.15
IUPAC Name7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(-c3ccccc3)cc2)c2ccn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C26H21N3S/c1-18-8-14-22(15-9-18)29-17-16-23-24(27-26(30-2)28-25(23)29)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-17H,1-2H3
InChIKeyZFCYBINVAMFVAA-UHFFFAOYSA-N
XLogP6.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CP-154526
CID 5311055
1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
Cgp-62464
CID 354471
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208
[3-(1H-imidazol-1-yl)propyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 24971390
6-(4-(4-methylpiperazin-1-yl)benzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 17968234
7-(2,2-dimethyl-propyl)-6-(4-methyl-benzyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444204
N-(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)phenyl)methanesulfonamide
CID 44444222
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(pyridin-3-yl)ethyl]amine
CID 24971389
6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
CID 155903114
5-Methyl-6-phenylpyrrolo[2,3-b]pyrazine
CID 6538810
N-ethyl-N-[[2-(4-fluorophenyl)-3-[2-[(1S)-1-phenylethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]ethanamine
CID 44419841

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine (CID 102105855) is 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine is CSc1nc(-c2ccc(-c3ccccc3)cc2)c2ccn(-c3ccc(C)cc3)c2n1.
What is the InChIKey of 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is ZFCYBINVAMFVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3S/c1-18-8-14-22(15-9-18)29-17-16-23-24(27-26(30-2)28-25(23)29)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-17H,1-2H3.
What are the key properties of 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine?
7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 407.54 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-2-methylsulfanyl-4-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 102105855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).