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

C20H16F3N5S — CID 24883004

IUPAC2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1cccc(C)c1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C20H16F3N5S/c1-11-4-3-5-12(2)15(11)27-19-28-16-17(24-10-25-18(16)29-19)26-14-8-6-13(7-9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyWQLYHKJBNHINOA-UHFFFAOYSA-N
MW415.44 g/mol
LogP6.21
Rot. Bonds4

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

2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883004) has the molecular formula C20H16F3N5S and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24883004
Molecular FormulaC20H16F3N5S
Molecular Weight415.44 g/mol
Exact Mass415.11
IUPAC Name2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1cccc(C)c1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C20H16F3N5S/c1-11-4-3-5-12(2)15(11)27-19-28-16-17(24-10-25-18(16)29-19)26-14-8-6-13(7-9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyWQLYHKJBNHINOA-UHFFFAOYSA-N
XLogP6.21
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883004) is 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Cc1cccc(C)c1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is WQLYHKJBNHINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5S/c1-11-4-3-5-12(2)15(11)27-19-28-16-17(24-10-25-18(16)29-19)26-14-8-6-13(7-9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 415.44 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).