4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene

C14H17F3N6 — CID 170591954

IUPAC4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
SMILESCc1nn(C)c2c1CCCCNc1nc(ncc1C(F)(F)F)N2
InChIInChI=1S/C14H17F3N6/c1-8-9-5-3-4-6-18-11-10(14(15,16)17)7-19-13(20-11)21-12(9)23(2)22-8/h7H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyFBCDCEYSGADRIL-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.03
Rot. Bonds

About 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene

4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene (PubChem CID 170591954) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene.

Molecular Properties

Compound Name4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
PubChem CID170591954
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
SMILESCc1nn(C)c2c1CCCCNc1nc(ncc1C(F)(F)F)N2
InChIInChI=1S/C14H17F3N6/c1-8-9-5-3-4-6-18-11-10(14(15,16)17)7-19-13(20-11)21-12(9)23(2)22-8/h7H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyFBCDCEYSGADRIL-UHFFFAOYSA-N
XLogP3.03
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene with MolForge

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Related Compounds

Ametoctradin
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CID 72191820
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
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2-N-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
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3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 91800715
N-methyl-1-(piperidin-3-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68212528
N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
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4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271031
2-Methyl-2-[1-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]propanenitrile
CID 72191821
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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
The IUPAC name of 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene (CID 170591954) is 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene.
What is the SMILES notation for 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
The canonical SMILES for 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene is Cc1nn(C)c2c1CCCCNc1nc(ncc1C(F)(F)F)N2.
What is the InChIKey of 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
The InChIKey is FBCDCEYSGADRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-8-9-5-3-4-6-18-11-10(14(15,16)17)7-19-13(20-11)21-12(9)23(2)22-8/h7H,3-6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene has a molecular weight of 326.33 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene is sourced from PubChem (CID 170591954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).