5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C17H16N6S — CID 16733036

IUPAC5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C17H16N6S/c1-2-10-12-14(18)21-17(19)23-15(12)22-16(10)24-11-7-3-5-9-6-4-8-20-13(9)11/h3-8H,2H2,1H3,(H5,18,19,21,22,23)
InChIKeyQNAXVTNLXFHEBW-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.38
Rot. Bonds3

About 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 16733036) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID16733036
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C17H16N6S/c1-2-10-12-14(18)21-17(19)23-15(12)22-16(10)24-11-7-3-5-9-6-4-8-20-13(9)11/h3-8H,2H2,1H3,(H5,18,19,21,22,23)
InChIKeyQNAXVTNLXFHEBW-UHFFFAOYSA-N
XLogP3.38
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N,N-dimethyl-4-quinolin-8-ylsulfanylaniline
CID 177461808
8-(2-ethylsulfonylethylsulfanyl)quinoline
CID 4191456
5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one
CID 19152730
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
3-chloro-4-quinolin-8-ylsulfanylaniline
CID 68885824
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
CID 19154251
ethane;quinolin-8-amine
CID 91158659
4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19141886
6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine
CID 145039451
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 16733036) is 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12.
What is the InChIKey of 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QNAXVTNLXFHEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-2-10-12-14(18)21-17(19)23-15(12)22-16(10)24-11-7-3-5-9-6-4-8-20-13(9)11/h3-8H,2H2,1H3,(H5,18,19,21,22,23).
What are the key properties of 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 336.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-quinolin-8-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 16733036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).