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

C14H20F3N3O4 — CID 171557365

IUPAC(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CO)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H16O4.C5H4F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;6-5(7,8)3-1-10-2-4(9)11-3/h6-8,10H,3-5H2,1-2H3;1-2H,(H2,9,11)
InChIKeyYPZXSDHYAMRULW-UHFFFAOYSA-N
MW351.33 g/mol
LogP1.37
Rot. Bonds1

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

(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557365) has the molecular formula C14H20F3N3O4 and a molecular weight of 351.33 g/mol. Its IUPAC name is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;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)methanol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557365
Molecular FormulaC14H20F3N3O4
Molecular Weight351.33 g/mol
Exact Mass351.14
IUPAC Name(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CO)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H16O4.C5H4F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;6-5(7,8)3-1-10-2-4(9)11-3/h6-8,10H,3-5H2,1-2H3;1-2H,(H2,9,11)
InChIKeyYPZXSDHYAMRULW-UHFFFAOYSA-N
XLogP1.37
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
((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
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
N-[(3aS,4R,7S,7aR)-2,2-dimethyl-4-(methylaminomethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167222143
(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167448159
[(3aR,4R,7S,7aR)-2,2-dimethyl-7-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 167491141
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine
CID 171556654
2-(Aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556765
N-[(3aS,4R,7aR)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 171556905
N-[(3aR,4S,7S,7aR)-4-(difluoromethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 171556999
[(3aS,4R,7aR)-2,2-dimethyl-7-[6-(trifluoromethyl)pyrazin-2-yl]imino-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine
CID 171557085
(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

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)methanol;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)methanol;6-(trifluoromethyl)pyrazin-2-amine (CID 171557365) is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;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)methanol;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)methanol;6-(trifluoromethyl)pyrazin-2-amine is CC1(C)OC2CCOC(CO)C2O1.Nc1cncc(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)methanol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is YPZXSDHYAMRULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C5H4F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;6-5(7,8)3-1-10-2-4(9)11-3/h6-8,10H,3-5H2,1-2H3;1-2H,(H2,9,11).
What are the key properties of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;6-(trifluoromethyl)pyrazin-2-amine?
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 351.33 g/mol, XLogP of 1.37, 1 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)methanol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).