2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C10H18N12 — CID 15333320

IUPAC2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(CCN(C)c1nc(N)nc(N)n1)c1nc(N)nc(N)n1
InChIInChI=1S/C10H18N12/c1-21(9-17-5(11)15-6(12)18-9)3-4-22(2)10-19-7(13)16-8(14)20-10/h3-4H2,1-2H3,(H4,11,12,15,17,18)(H4,13,14,16,19,20)
InChIKeyKJLKORJWJYQMFD-UHFFFAOYSA-N
MW306.34 g/mol
LogP-2.04
Rot. Bonds5

About 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 15333320) has the molecular formula C10H18N12 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID15333320
Molecular FormulaC10H18N12
Molecular Weight306.34 g/mol
Exact Mass306.18
IUPAC Name2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(CCN(C)c1nc(N)nc(N)n1)c1nc(N)nc(N)n1
InChIInChI=1S/C10H18N12/c1-21(9-17-5(11)15-6(12)18-9)3-4-22(2)10-19-7(13)16-8(14)20-10/h3-4H2,1-2H3,(H4,11,12,15,17,18)(H4,13,14,16,19,20)
InChIKeyKJLKORJWJYQMFD-UHFFFAOYSA-N
XLogP-2.04
TPSA187.90 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.34
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 15333320) is 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CN(CCN(C)c1nc(N)nc(N)n1)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KJLKORJWJYQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N12/c1-21(9-17-5(11)15-6(12)18-9)3-4-22(2)10-19-7(13)16-8(14)20-10/h3-4H2,1-2H3,(H4,11,12,15,17,18)(H4,13,14,16,19,20).
What are the key properties of 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.34 g/mol, XLogP of -2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 15333320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).