2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C23H24N6O2S2 — CID 89299571

IUPAC2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1cccc(C)c1Nc1nc2c(Nc3ccc(S(=O)N4CCOCC4)cc3)ncnc2s1
InChIInChI=1S/C23H24N6O2S2/c1-15-4-3-5-16(2)19(15)27-23-28-20-21(24-14-25-22(20)32-23)26-17-6-8-18(9-7-17)33(30)29-10-12-31-13-11-29/h3-9,14H,10-13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyLWFFCXIMBSFFET-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.55
Rot. Bonds6

About 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 89299571) has the molecular formula C23H24N6O2S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID89299571
Molecular FormulaC23H24N6O2S2
Molecular Weight480.62 g/mol
Exact Mass480.14
IUPAC Name2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1cccc(C)c1Nc1nc2c(Nc3ccc(S(=O)N4CCOCC4)cc3)ncnc2s1
InChIInChI=1S/C23H24N6O2S2/c1-15-4-3-5-16(2)19(15)27-23-28-20-21(24-14-25-22(20)32-23)26-17-6-8-18(9-7-17)33(30)29-10-12-31-13-11-29/h3-9,14H,10-13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyLWFFCXIMBSFFET-UHFFFAOYSA-N
XLogP4.55
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine with MolForge

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Related Compounds

N2-(2,6-dimethylphenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883004
2-(1-(2-morpholinobenzyl)-4-phenyl-1H-imidazol-5-yl)thiazolo[5,4-d]pyrimidin-7-amine
CID 45375946
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 71572529
7-morpholin-4-yl-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 76313639
7-morpholin-4-yl-N-naphthalen-1-yl-5-propylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 137643884
5-benzylsulfanyl-7-morpholin-4-yl-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 137657197
4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 155815012
4-(7-(4-Morpholinophenylamino)thiazolo[4,5-d]pyrimidin-2-ylamino)benzenesulfonamide
CID 44592254
N-(4-morpholin-4-ylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 172441833
6-[5-(4-Fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 11755160
2-N-(2,6-dimethylphenyl)-5-methyl-7-N-[4-(trifluoromethylsulfonyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882830
2-N-(2,6-dimethylphenyl)-7-N-(3-fluoro-4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882835

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 89299571) is 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Cc1cccc(C)c1Nc1nc2c(Nc3ccc(S(=O)N4CCOCC4)cc3)ncnc2s1.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is LWFFCXIMBSFFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S2/c1-15-4-3-5-16(2)19(15)27-23-28-20-21(24-14-25-22(20)32-23)26-17-6-8-18(9-7-17)33(30)29-10-12-31-13-11-29/h3-9,14H,10-13H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 480.62 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-7-N-(4-morpholin-4-ylsulfinylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 89299571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).