7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine

C20H17N3OS — CID 5073108

IUPAC7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccccc1-n1cc(-c2ccccc2)c2c(SC)ncnc21
InChIInChI=1S/C20H17N3OS/c1-24-17-11-7-6-10-16(17)23-12-15(14-8-4-3-5-9-14)18-19(23)21-13-22-20(18)25-2/h3-13H,1-2H3
InChIKeySNPBDIVHMUAVNX-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.82
Rot. Bonds4

About 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine

7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 5073108) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID5073108
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccccc1-n1cc(-c2ccccc2)c2c(SC)ncnc21
InChIInChI=1S/C20H17N3OS/c1-24-17-11-7-6-10-16(17)23-12-15(14-8-4-3-5-9-14)18-19(23)21-13-22-20(18)25-2/h3-13H,1-2H3
InChIKeySNPBDIVHMUAVNX-UHFFFAOYSA-N
XLogP4.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(2-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone
CID 4217909
2-(2-methoxyphenoxy)-1-[4-[7-(2-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 16647150
7-(4-fluorophenyl)-4-[(4-fluorophenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4183488
7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 70206153
7-(2-methoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione
CID 2049446
7-(3-fluorophenyl)-4-[(4-fluorophenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4207734
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 2049547
7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50749561
7-(4-ethoxyphenyl)-4-(2-methylpropylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4080784
methyl (2S)-2-[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
CID 27319291
4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 166138070

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine (CID 5073108) is 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine is COc1ccccc1-n1cc(-c2ccccc2)c2c(SC)ncnc21.
What is the InChIKey of 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is SNPBDIVHMUAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-17-11-7-6-10-16(17)23-12-15(14-8-4-3-5-9-14)18-19(23)21-13-22-20(18)25-2/h3-13H,1-2H3.
What are the key properties of 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine?
7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 347.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 5073108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).