7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine

C17H18N4S2 — CID 11674568

IUPAC7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(N)nc2cc(-c3c(SC)cccc3SC)ccc12
InChIInChI=1S/C17H18N4S2/c1-19-16-11-8-7-10(9-12(11)20-17(18)21-16)15-13(22-2)5-4-6-14(15)23-3/h4-9H,1-3H3,(H3,18,19,20,21)
InChIKeyKBBCGXWLFFYHAK-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.36
Rot. Bonds4

About 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine

7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine (PubChem CID 11674568) has the molecular formula C17H18N4S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine
PubChem CID11674568
Molecular FormulaC17H18N4S2
Molecular Weight342.49 g/mol
Exact Mass342.10
IUPAC Name7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(N)nc2cc(-c3c(SC)cccc3SC)ccc12
InChIInChI=1S/C17H18N4S2/c1-19-16-11-8-7-10(9-12(11)20-17(18)21-16)15-13(22-2)5-4-6-14(15)23-3/h4-9H,1-3H3,(H3,18,19,20,21)
InChIKeyKBBCGXWLFFYHAK-UHFFFAOYSA-N
XLogP4.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,6-dichlorophenyl)-4-N-methylquinazoline-2,4-diamine;2,2,2-trifluoroacetic acid
CID 69077338
7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11522011
7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-N-methylquinazoline-2,4-diamine;2,2,2-trifluoroacetic acid
CID 69077886
2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide
CID 11493918
4-N-methyl-7-(2-methyl-6-nitrophenyl)quinazoline-2,4-diamine;2,2,2-trifluoroacetic acid
CID 11495512
7-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluorophenyl]-4-N-methylquinazoline-2,4-diamine
CID 11654995
7-[2-ethoxy-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine;2,2,2-trifluoroacetic acid
CID 87685702
2-[[2-amino-7-(2,6-dichlorophenyl)quinazolin-4-yl]amino]ethanol;2-[[2-amino-7-(2,6-difluorophenyl)quinazolin-4-yl]amino]ethanol
CID 69467205
7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
CID 118477734
4-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazoline-4,7-diamine
CID 177344810
4-N-methyl-7-phenyl-6-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 68766237
7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
CID 64983885

Frequently Asked Questions

What is the IUPAC name of 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
The IUPAC name of 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine (CID 11674568) is 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine is CNc1nc(N)nc2cc(-c3c(SC)cccc3SC)ccc12.
What is the InChIKey of 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
The InChIKey is KBBCGXWLFFYHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S2/c1-19-16-11-8-7-10(9-12(11)20-17(18)21-16)15-13(22-2)5-4-6-14(15)23-3/h4-9H,1-3H3,(H3,18,19,20,21).
What are the key properties of 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,6-bis(methylsulfanyl)phenyl]-4-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 11674568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).