5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine

C19H20N6O — CID 68917633

IUPAC5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4ccc(N(C)C)nc4)n3c2n1
InChIInChI=1S/C19H20N6O/c1-11-17-12(2)22-18(13-6-8-15(20-10-13)24(3)4)25(17)19-14(21-11)7-9-16(23-19)26-5/h6-10H,1-5H3
InChIKeyWHICKGGLBNHEER-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.03
Rot. Bonds3

About 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine

5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine (PubChem CID 68917633) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine
PubChem CID68917633
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4ccc(N(C)C)nc4)n3c2n1
InChIInChI=1S/C19H20N6O/c1-11-17-12(2)22-18(13-6-8-15(20-10-13)24(3)4)25(17)19-14(21-11)7-9-16(23-19)26-5/h6-10H,1-5H3
InChIKeyWHICKGGLBNHEER-UHFFFAOYSA-N
XLogP3.03
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine with MolForge

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Related Compounds

12-methoxy-5,7-dimethyl-3-pyridin-4-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629579
12-methoxy-5,7-dimethyl-3-(3-methylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42630307
3-bromo-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648403
12-methoxy-3-(4-methoxy-3-pyridinyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629700
12-methoxy-5,7-dimethyl-3-(4-methylthiophen-3-yl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629948
12-methoxy-5,7-dimethyl-3-(1,3,5-trimethylpyrazol-4-yl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648679
4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole
CID 42630184
3-ethyl-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 24802718
3-(2-chloro-4-fluorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648496
12-methoxy-5,7-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42630063
3-(4-chloro-2-fluorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629470
12-methoxy-N,N,5-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 42624219

Frequently Asked Questions

What is the IUPAC name of 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine (CID 68917633) is 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine is COc1ccc2nc(C)c3c(C)nc(-c4ccc(N(C)C)nc4)n3c2n1.
What is the InChIKey of 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine?
The InChIKey is WHICKGGLBNHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-11-17-12(2)22-18(13-6-8-15(20-10-13)24(3)4)25(17)19-14(21-11)7-9-16(23-19)26-5/h6-10H,1-5H3.
What are the key properties of 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine?
5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine has a molecular weight of 348.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 68917633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).