(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine

C15H23F3N4O3 — CID 171557323

IUPAC(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CN)C2O1.CNc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C6H6F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;1-10-5-3-11-2-4(12-5)6(7,8)9/h6-8H,3-5,10H2,1-2H3;2-3H,1H3,(H,10,12)
InChIKeyZHKBQTAKWJPUMP-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.79
Rot. Bonds2

About (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine

(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557323) has the molecular formula C15H23F3N4O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557323
Molecular FormulaC15H23F3N4O3
Molecular Weight364.37 g/mol
Exact Mass364.17
IUPAC Name(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CN)C2O1.CNc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C6H6F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;1-10-5-3-11-2-4(12-5)6(7,8)9/h6-8H,3-5,10H2,1-2H3;2-3H,1H3,(H,10,12)
InChIKeyZHKBQTAKWJPUMP-UHFFFAOYSA-N
XLogP1.79
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221555
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
N-[(3aS,4R,7S,7aR)-4-(aminomethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221591
cis-(1S,2S)-N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 167221592
N-[(3aR,4R,7S,7aR)-4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221642
((3aR,4R,7S,7aR)-2,2-dimethyl-7-((6-(trifluoromethyl)pyrazin-2-yl)amino)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol
CID 167221666
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
N-[(3aR,4R,7S,7aR)-4-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221729
2-[2-[2-[2-[[(3aR,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 167221731
(2R,3R,4R,5S)-2-(azidomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221823
N-[(3aR,4R,7S,7aR)-4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221833
(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221841

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine (CID 171557323) is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine is CC1(C)OC2CCOC(CN)C2O1.CNc1cncc(C(F)(F)F)n1.
What is the InChIKey of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is ZHKBQTAKWJPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C6H6F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;1-10-5-3-11-2-4(12-5)6(7,8)9/h6-8H,3-5,10H2,1-2H3;2-3H,1H3,(H,10,12).
What are the key properties of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine?
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 364.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;N-methyl-6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).