6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine

C21H34N10O4 — CID 139920677

IUPAC6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(CC1OCC2(CO1)COC(CC(C)(C)c1nc(N)nc(N)n1)OC2)c1nc(N)nc(N)n1
InChIInChI=1S/C21H34N10O4/c1-19(2,13-26-15(22)30-16(23)27-13)5-11-32-7-21(8-33-11)9-34-12(35-10-21)6-20(3,4)14-28-17(24)31-18(25)29-14/h11-12H,5-10H2,1-4H3,(H4,22,23,26,27,30)(H4,24,25,28,29,31)
InChIKeyGEJANFOWFWLGBV-UHFFFAOYSA-N
MW490.57 g/mol
LogP0.15
Rot. Bonds6

About 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine

6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 139920677) has the molecular formula C21H34N10O4 and a molecular weight of 490.57 g/mol. Its IUPAC name is 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID139920677
Molecular FormulaC21H34N10O4
Molecular Weight490.57 g/mol
Exact Mass490.28
IUPAC Name6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(CC1OCC2(CO1)COC(CC(C)(C)c1nc(N)nc(N)n1)OC2)c1nc(N)nc(N)n1
InChIInChI=1S/C21H34N10O4/c1-19(2,13-26-15(22)30-16(23)27-13)5-11-32-7-21(8-33-11)9-34-12(35-10-21)6-20(3,4)14-28-17(24)31-18(25)29-14/h11-12H,5-10H2,1-4H3,(H4,22,23,26,27,30)(H4,24,25,28,29,31)
InChIKeyGEJANFOWFWLGBV-UHFFFAOYSA-N
XLogP0.15
TPSA218.34 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 139920677) is 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine is CC(C)(CC1OCC2(CO1)COC(CC(C)(C)c1nc(N)nc(N)n1)OC2)c1nc(N)nc(N)n1.
What is the InChIKey of 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GEJANFOWFWLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N10O4/c1-19(2,13-26-15(22)30-16(23)27-13)5-11-32-7-21(8-33-11)9-34-12(35-10-21)6-20(3,4)14-28-17(24)31-18(25)29-14/h11-12H,5-10H2,1-4H3,(H4,22,23,26,27,30)(H4,24,25,28,29,31).
What are the key properties of 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine?
6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 490.57 g/mol, XLogP of 0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139920677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).