5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C22H20F3N7 — CID 19009708

IUPAC5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1cnc(C(F)(F)F)nc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H20F3N7/c1-2-5-16-13-27-21(22(23,24)25)28-19(16)26-12-14-8-10-15(11-9-14)17-6-3-4-7-18(17)20-29-31-32-30-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyXYEUWUIQFFIDQY-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.91
Rot. Bonds7

About 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 19009708) has the molecular formula C22H20F3N7 and a molecular weight of 439.45 g/mol. Its IUPAC name is 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID19009708
Molecular FormulaC22H20F3N7
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC Name5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1cnc(C(F)(F)F)nc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H20F3N7/c1-2-5-16-13-27-21(22(23,24)25)28-19(16)26-12-14-8-10-15(11-9-14)17-6-3-4-7-18(17)20-29-31-32-30-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyXYEUWUIQFFIDQY-UHFFFAOYSA-N
XLogP4.91
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 67751380
CID 67751380
[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
CID 15657933
6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 19779318
N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine
CID 19787149
CID 67885779
CID 67885779
[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol
CID 67751599
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 70340213
CID 70340213
5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
N'-[N-butyl-C-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbonimidoyl]-2,2-difluoropentanimidamide
CID 162576269
5-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 69183934

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 19009708) is 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCCc1cnc(C(F)(F)F)nc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XYEUWUIQFFIDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7/c1-2-5-16-13-27-21(22(23,24)25)28-19(16)26-12-14-8-10-15(11-9-14)17-6-3-4-7-18(17)20-29-31-32-30-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,26,27,28)(H,29,30,31,32).
What are the key properties of 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 439.45 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 19009708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).