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

C24H24F3N7 — CID 19009727

IUPAC6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1nc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(C)C
InChIInChI=1S/C24H24F3N7/c1-4-19-20(14(2)3)22(30-23(29-19)24(25,26)27)28-13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)21-31-33-34-32-21/h5-12,14H,4,13H2,1-3H3,(H,28,29,30)(H,31,32,33,34)
InChIKeyPYRXBUPEONNPFN-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.64
Rot. Bonds7

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

6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 19009727) has the molecular formula C24H24F3N7 and a molecular weight of 467.50 g/mol. Its IUPAC name is 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID19009727
Molecular FormulaC24H24F3N7
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1nc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(C)C
InChIInChI=1S/C24H24F3N7/c1-4-19-20(14(2)3)22(30-23(29-19)24(25,26)27)28-13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)21-31-33-34-32-21/h5-12,14H,4,13H2,1-3H3,(H,28,29,30)(H,31,32,33,34)
InChIKeyPYRXBUPEONNPFN-UHFFFAOYSA-N
XLogP5.64
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 19009727) is 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCc1nc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(C)C.
What is the InChIKey of 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PYRXBUPEONNPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7/c1-4-19-20(14(2)3)22(30-23(29-19)24(25,26)27)28-13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)21-31-33-34-32-21/h5-12,14H,4,13H2,1-3H3,(H,28,29,30)(H,31,32,33,34).
What are the key properties of 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-ethyl-5-propan-2-yl-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 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-propan-2-yl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 19009727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).