3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine

C14H20N6O2 — CID 178106336

IUPAC3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine
SMILESCC1CC(N2c3nc(N)nc4c3c(nn4C)OCC2C)CO1
InChIInChI=1S/C14H20N6O2/c1-7-5-22-13-10-11(19(3)18-13)16-14(15)17-12(10)20(7)9-4-8(2)21-6-9/h7-9H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyLNMYQAPTGTYZPZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.71
Rot. Bonds1

About 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine

3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine (PubChem CID 178106336) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine.

Molecular Properties

Compound Name3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine
PubChem CID178106336
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine
SMILESCC1CC(N2c3nc(N)nc4c3c(nn4C)OCC2C)CO1
InChIInChI=1S/C14H20N6O2/c1-7-5-22-13-10-11(19(3)18-13)16-14(15)17-12(10)20(7)9-4-8(2)21-6-9/h7-9H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyLNMYQAPTGTYZPZ-UHFFFAOYSA-N
XLogP0.71
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine?
The IUPAC name of 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine (CID 178106336) is 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine.
What is the SMILES notation for 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine?
The canonical SMILES for 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine is CC1CC(N2c3nc(N)nc4c3c(nn4C)OCC2C)CO1.
What is the InChIKey of 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine?
The InChIKey is LNMYQAPTGTYZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-7-5-22-13-10-11(19(3)18-13)16-14(15)17-12(10)20(7)9-4-8(2)21-6-9/h7-9H,4-6H2,1-3H3,(H2,15,16,17).
What are the key properties of 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine?
3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine has a molecular weight of 304.35 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine is sourced from PubChem (CID 178106336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).