2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine

C11H16F3N3 — CID 114131334

IUPAC2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
SMILESCCNc1cc(NC(C)CC(F)(F)F)ccn1
InChIInChI=1S/C11H16F3N3/c1-3-15-10-6-9(4-5-16-10)17-8(2)7-11(12,13)14/h4-6,8H,3,7H2,1-2H3,(H2,15,16,17)
InChIKeyLDOOQDKOGMNZIO-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.27
Rot. Bonds5

About 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine

2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine (PubChem CID 114131334) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
PubChem CID114131334
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
SMILESCCNc1cc(NC(C)CC(F)(F)F)ccn1
InChIInChI=1S/C11H16F3N3/c1-3-15-10-6-9(4-5-16-10)17-8(2)7-11(12,13)14/h4-6,8H,3,7H2,1-2H3,(H2,15,16,17)
InChIKeyLDOOQDKOGMNZIO-UHFFFAOYSA-N
XLogP3.27
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106179413
methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
CID 113367704
2-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 104854561
2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 62147964
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 113484591
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104830614
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
CID 107819048
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine (CID 114131334) is 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine is CCNc1cc(NC(C)CC(F)(F)F)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine?
The InChIKey is LDOOQDKOGMNZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-3-15-10-6-9(4-5-16-10)17-8(2)7-11(12,13)14/h4-6,8H,3,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine?
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine has a molecular weight of 247.26 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine is sourced from PubChem (CID 114131334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).