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

C24H24F3N7 — CID 19009746

IUPAC6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1c(CC)nc(C(F)(F)F)nc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24F3N7/c1-3-7-19-20(4-2)29-23(24(25,26)27)30-21(19)28-14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-31-33-34-32-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,28,29,30)(H,31,32,33,34)
InChIKeyXDZOCDOAPIUNDT-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.47
Rot. Bonds8

About 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 19009746) has the molecular formula C24H24F3N7 and a molecular weight of 467.50 g/mol. Its IUPAC name is 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID19009746
Molecular FormulaC24H24F3N7
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1c(CC)nc(C(F)(F)F)nc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24F3N7/c1-3-7-19-20(4-2)29-23(24(25,26)27)30-21(19)28-14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-31-33-34-32-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,28,29,30)(H,31,32,33,34)
InChIKeyXDZOCDOAPIUNDT-UHFFFAOYSA-N
XLogP5.47
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
N-Butyl-4,6-Dimethyl-N-{[2'-(2h-Tetrazol-5-Yl)biphenyl-4-Yl]methyl}pyrimidin-2-Amine
CID 15658026
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 10410148
2-benzyl-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062911
N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine
CID 2801975
5-(Aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10125952
5-(Aminomethyl)-6-(2-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10286219
2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162669622
5-Methyl-7-propyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 10001600
5-Methyl-7-propyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-trifluoromethyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 10005278
5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 10005644
2,5-Dimethyl-7-propyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 10025379

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 19009746) is 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCCc1c(CC)nc(C(F)(F)F)nc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XDZOCDOAPIUNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7/c1-3-7-19-20(4-2)29-23(24(25,26)27)30-21(19)28-14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-31-33-34-32-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,28,29,30)(H,31,32,33,34).
What are the key properties of 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 467.50 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 19009746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).