2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine

C22H19Cl2F3N6S — CID 24882754

IUPAC2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
SMILESCC(C)CNc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33)
InChIKeyKXBDRWINDHCJDI-UHFFFAOYSA-N
MW527.40 g/mol
LogP7.97
Rot. Bonds7

About 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine

2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine (PubChem CID 24882754) has the molecular formula C22H19Cl2F3N6S and a molecular weight of 527.40 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
PubChem CID24882754
Molecular FormulaC22H19Cl2F3N6S
Molecular Weight527.40 g/mol
Exact Mass526.07
IUPAC Name2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
SMILESCC(C)CNc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33)
InChIKeyKXBDRWINDHCJDI-UHFFFAOYSA-N
XLogP7.97
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.40
LogP ≤ 57.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine (CID 24882754) is 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine is CC(C)CNc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The InChIKey is KXBDRWINDHCJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33).
What are the key properties of 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine has a molecular weight of 527.40 g/mol, XLogP of 7.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 24882754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).