2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H11ClF3N7S — CID 74221496

IUPAC2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccc(Cc3nn[nH]n3)cc2)nc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C17H11ClF3N7S/c18-13-6-5-11(29-13)16-23-12(17(19,20)21)8-14(24-16)22-10-3-1-9(2-4-10)7-15-25-27-28-26-15/h1-6,8H,7H2,(H,22,23,24)(H,25,26,27,28)
InChIKeyDMTBOAMGTHUSLS-UHFFFAOYSA-N
MW437.84 g/mol
LogP4.72
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 74221496) has the molecular formula C17H11ClF3N7S and a molecular weight of 437.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID74221496
Molecular FormulaC17H11ClF3N7S
Molecular Weight437.84 g/mol
Exact Mass437.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccc(Cc3nn[nH]n3)cc2)nc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C17H11ClF3N7S/c18-13-6-5-11(29-13)16-23-12(17(19,20)21)8-14(24-16)22-10-3-1-9(2-4-10)7-15-25-27-28-26-15/h1-6,8H,7H2,(H,22,23,24)(H,25,26,27,28)
InChIKeyDMTBOAMGTHUSLS-UHFFFAOYSA-N
XLogP4.72
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.84
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-chlorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 53325884
2-N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 59757998
US11401286, Example 304
CID 74220579
US11401286, Example 298
CID 74220647
2-(5-Chloro-2-thienyl)-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 74221429
2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine
CID 74221430
US11401286, Example 77
CID 74221493
US11401286, Example 76
CID 74221494
US11401286, Example 300
CID 137512393
5-(4-Chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823308
5-(3-Chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 162653520
2-[(E)-2-(4-chlorophenyl)-1-cyanoethenyl]-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 171355911

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 74221496) is 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(Nc2ccc(Cc3nn[nH]n3)cc2)nc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DMTBOAMGTHUSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N7S/c18-13-6-5-11(29-13)16-23-12(17(19,20)21)8-14(24-16)22-10-3-1-9(2-4-10)7-15-25-27-28-26-15/h1-6,8H,7H2,(H,22,23,24)(H,25,26,27,28).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 437.84 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 74221496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).