N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine

C21H14F3N7S — CID 19787149

IUPACN-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2sccc2n1
InChIInChI=1S/C21H14F3N7S/c22-21(23,24)20-26-16-9-10-32-17(16)19(27-20)25-11-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-28-30-31-29-18/h1-10H,11H2,(H,25,26,27)(H,28,29,30,31)
InChIKeyKUMKVXCXULUHTF-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.17
Rot. Bonds5

About N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine

N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 19787149) has the molecular formula C21H14F3N7S and a molecular weight of 453.45 g/mol. Its IUPAC name is N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID19787149
Molecular FormulaC21H14F3N7S
Molecular Weight453.45 g/mol
Exact Mass453.10
IUPAC NameN-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2sccc2n1
InChIInChI=1S/C21H14F3N7S/c22-21(23,24)20-26-16-9-10-32-17(16)19(27-20)25-11-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-28-30-31-29-18/h1-10H,11H2,(H,25,26,27)(H,28,29,30,31)
InChIKeyKUMKVXCXULUHTF-UHFFFAOYSA-N
XLogP5.17
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 19742796
6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 19779318
CID 67885779
CID 67885779
5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 19009708
8,8-difluoro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-quinazolin-4-amine
CID 19744182
CID 67751380
CID 67751380
CID 70340213
CID 70340213
2-[4-[[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid
CID 19787151
methyl 2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]acetate
CID 54557698
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
CID 15657933
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine (CID 19787149) is N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine is FC(F)(F)c1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2sccc2n1.
What is the InChIKey of N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KUMKVXCXULUHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7S/c22-21(23,24)20-26-16-9-10-32-17(16)19(27-20)25-11-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-28-30-31-29-18/h1-10H,11H2,(H,25,26,27)(H,28,29,30,31).
What are the key properties of N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine?
N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 453.45 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 19787149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).