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

C17H9Cl2F3N6S — CID 24882957

IUPAC2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cn1
InChIInChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)12(9)27-16-28-13-14(24-7-25-15(13)29-16)26-8-4-5-11(23-6-8)17(20,21)22/h1-7H,(H,27,28)(H,24,25,26)
InChIKeyUKMFZHQUYINJAN-UHFFFAOYSA-N
MW457.27 g/mol
LogP6.29
Rot. Bonds4

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

2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24882957) has the molecular formula C17H9Cl2F3N6S and a molecular weight of 457.27 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24882957
Molecular FormulaC17H9Cl2F3N6S
Molecular Weight457.27 g/mol
Exact Mass455.99
IUPAC Name2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cn1
InChIInChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)12(9)27-16-28-13-14(24-7-25-15(13)29-16)26-8-4-5-11(23-6-8)17(20,21)22/h1-7H,(H,27,28)(H,24,25,26)
InChIKeyUKMFZHQUYINJAN-UHFFFAOYSA-N
XLogP6.29
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.27
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24882957) is 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cn1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is UKMFZHQUYINJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)12(9)27-16-28-13-14(24-7-25-15(13)29-16)26-8-4-5-11(23-6-8)17(20,21)22/h1-7H,(H,27,28)(H,24,25,26).
What are the key properties of 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 457.27 g/mol, XLogP of 6.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24882957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).