2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C13H16F3N5 — CID 102718474

IUPAC2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NCc2nccn2C)n1
InChIInChI=1S/C13H16F3N5/c1-3-17-10-6-9(13(14,15)16)7-11(20-10)19-8-12-18-4-5-21(12)2/h4-7H,3,8H2,1-2H3,(H2,17,19,20)
InChIKeyFYSXLSURRMHMBB-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.88
Rot. Bonds5

About 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718474) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718474
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NCc2nccn2C)n1
InChIInChI=1S/C13H16F3N5/c1-3-17-10-6-9(13(14,15)16)7-11(20-10)19-8-12-18-4-5-21(12)2/h4-7H,3,8H2,1-2H3,(H2,17,19,20)
InChIKeyFYSXLSURRMHMBB-UHFFFAOYSA-N
XLogP2.88
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63295527
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718481
2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718897
2-N-ethyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718546
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936719
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 63294630
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719089
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718474) is 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(NCc2nccn2C)n1.
What is the InChIKey of 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is FYSXLSURRMHMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-3-17-10-6-9(13(14,15)16)7-11(20-10)19-8-12-18-4-5-21(12)2/h4-7H,3,8H2,1-2H3,(H2,17,19,20).
What are the key properties of 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 299.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).