3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine

C12H14F5N3 — CID 106219622

IUPAC3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
SMILESCCCNc1nc(NC2(C(F)(F)F)CC2)c(F)cc1F
InChIInChI=1S/C12H14F5N3/c1-2-5-18-9-7(13)6-8(14)10(19-9)20-11(3-4-11)12(15,16)17/h6H,2-5H2,1H3,(H2,18,19,20)
InChIKeyKBOJITACMPVUHV-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.69
Rot. Bonds5

About 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine

3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine (PubChem CID 106219622) has the molecular formula C12H14F5N3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
PubChem CID106219622
Molecular FormulaC12H14F5N3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
SMILESCCCNc1nc(NC2(C(F)(F)F)CC2)c(F)cc1F
InChIInChI=1S/C12H14F5N3/c1-2-5-18-9-7(13)6-8(14)10(19-9)20-11(3-4-11)12(15,16)17/h6H,2-5H2,1H3,(H2,18,19,20)
InChIKeyKBOJITACMPVUHV-UHFFFAOYSA-N
XLogP3.69
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219432
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
CID 106296104
6-(2-cyclopropylethoxy)-3,5-difluoro-N-propylpyridin-2-amine
CID 106207560
2-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]acetamide
CID 114074035
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106150078
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219572
6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219554
5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 114159806
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
3,5-difluoro-6-N-octylpyridine-2,6-diamine
CID 114074590
2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258505

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine (CID 106219622) is 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine is CCCNc1nc(NC2(C(F)(F)F)CC2)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
The InChIKey is KBOJITACMPVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N3/c1-2-5-18-9-7(13)6-8(14)10(19-9)20-11(3-4-11)12(15,16)17/h6H,2-5H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine has a molecular weight of 295.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine is sourced from PubChem (CID 106219622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).