4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine

C21H19N5OS — CID 19154251

IUPAC4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
SMILESCCOc1ccccc1Nc1ncnc(Sc2cccc3cccnc23)c1N
InChIInChI=1S/C21H19N5OS/c1-2-27-16-10-4-3-9-15(16)26-20-18(22)21(25-13-24-20)28-17-11-5-7-14-8-6-12-23-19(14)17/h3-13H,2,22H2,1H3,(H,24,25,26)
InChIKeyWPCFTLJQHYMNCB-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.90
Rot. Bonds6

About 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine

4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine (PubChem CID 19154251) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
PubChem CID19154251
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
SMILESCCOc1ccccc1Nc1ncnc(Sc2cccc3cccnc23)c1N
InChIInChI=1S/C21H19N5OS/c1-2-27-16-10-4-3-9-15(16)26-20-18(22)21(25-13-24-20)28-17-11-5-7-14-8-6-12-23-19(14)17/h3-13H,2,22H2,1H3,(H,24,25,26)
InChIKeyWPCFTLJQHYMNCB-UHFFFAOYSA-N
XLogP4.90
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2-methoxy-5-methylphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
CID 22542015
4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19141886
4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154386
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide
CID 19150958
2-[(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 19141406
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-4-methylbenzohydrazide
CID 19150789
8-(6-ethoxy-5-nitropyrimidin-4-yl)sulfanylquinoline
CID 22537288
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine (CID 19154251) is 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine is CCOc1ccccc1Nc1ncnc(Sc2cccc3cccnc23)c1N.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine?
The InChIKey is WPCFTLJQHYMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-2-27-16-10-4-3-9-15(16)26-20-18(22)21(25-13-24-20)28-17-11-5-7-14-8-6-12-23-19(14)17/h3-13H,2,22H2,1H3,(H,24,25,26).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine?
4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine has a molecular weight of 389.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 19154251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).