2-(3-methoxyphenyl)sulfanyl-7H-purine

C12H10N4OS — CID 140979991

IUPAC2-(3-methoxyphenyl)sulfanyl-7H-purine
SMILESCOc1cccc(Sc2ncc3[nH]cnc3n2)c1
InChIInChI=1S/C12H10N4OS/c1-17-8-3-2-4-9(5-8)18-12-13-6-10-11(16-12)15-7-14-10/h2-7H,1H3,(H,13,14,15,16)
InChIKeyROLDIXKGZWALBO-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.51
Rot. Bonds3

About 2-(3-methoxyphenyl)sulfanyl-7H-purine

2-(3-methoxyphenyl)sulfanyl-7H-purine (PubChem CID 140979991) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-7H-purine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-7H-purine
PubChem CID140979991
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-(3-methoxyphenyl)sulfanyl-7H-purine
SMILESCOc1cccc(Sc2ncc3[nH]cnc3n2)c1
InChIInChI=1S/C12H10N4OS/c1-17-8-3-2-4-9(5-8)18-12-13-6-10-11(16-12)15-7-14-10/h2-7H,1H3,(H,13,14,15,16)
InChIKeyROLDIXKGZWALBO-UHFFFAOYSA-N
XLogP2.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80884012
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
methyl 2-(7H-purin-2-ylsulfanyl)acetate
CID 67767931
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 113368207
6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 86072604
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
CID 102988705
4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline
CID 1479845
8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine
CID 103140873
N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine
CID 10132590

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-7H-purine?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-7H-purine (CID 140979991) is 2-(3-methoxyphenyl)sulfanyl-7H-purine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-7H-purine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-7H-purine is COc1cccc(Sc2ncc3[nH]cnc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-7H-purine?
The InChIKey is ROLDIXKGZWALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-17-8-3-2-4-9(5-8)18-12-13-6-10-11(16-12)15-7-14-10/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-7H-purine?
2-(3-methoxyphenyl)sulfanyl-7H-purine has a molecular weight of 258.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-7H-purine is sourced from PubChem (CID 140979991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).