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

C19H30N10O4 — CID 18751470

IUPAC6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(CC1OCC2(CO1)COC(CC(C)c1nc(N)nc(N)n1)OC2)c1nc(N)nc(N)n1
InChIInChI=1S/C19H30N10O4/c1-9(13-24-15(20)28-16(21)25-13)3-11-30-5-19(6-31-11)7-32-12(33-8-19)4-10(2)14-26-17(22)29-18(23)27-14/h9-12H,3-8H2,1-2H3,(H4,20,21,24,25,28)(H4,22,23,26,27,29)
InChIKeyVBUREMHERYEUBL-UHFFFAOYSA-N
MW462.52 g/mol
LogP-0.19
Rot. Bonds6

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

6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 18751470) has the molecular formula C19H30N10O4 and a molecular weight of 462.52 g/mol. Its IUPAC name is 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-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)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID18751470
Molecular FormulaC19H30N10O4
Molecular Weight462.52 g/mol
Exact Mass462.25
IUPAC Name6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(CC1OCC2(CO1)COC(CC(C)c1nc(N)nc(N)n1)OC2)c1nc(N)nc(N)n1
InChIInChI=1S/C19H30N10O4/c1-9(13-24-15(20)28-16(21)25-13)3-11-30-5-19(6-31-11)7-32-12(33-8-19)4-10(2)14-26-17(22)29-18(23)27-14/h9-12H,3-8H2,1-2H3,(H4,20,21,24,25,28)(H4,22,23,26,27,29)
InChIKeyVBUREMHERYEUBL-UHFFFAOYSA-N
XLogP-0.19
TPSA218.34 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-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)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-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)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 18751470) is 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-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)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-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)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is CC(CC1OCC2(CO1)COC(CC(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)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VBUREMHERYEUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N10O4/c1-9(13-24-15(20)28-16(21)25-13)3-11-30-5-19(6-31-11)7-32-12(33-8-19)4-10(2)14-26-17(22)29-18(23)27-14/h9-12H,3-8H2,1-2H3,(H4,20,21,24,25,28)(H4,22,23,26,27,29).
What are the key properties of 6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-[1-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 462.52 g/mol, XLogP of -0.19, 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)propyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18751470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).