6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H21N11 — CID 592816

IUPAC6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CC(N)c2nc(N)nc(N(C)C)n2)n1
InChIInChI=1S/C12H21N11/c1-22(2)11-17-7(16-9(14)20-11)5-6(13)8-18-10(15)21-12(19-8)23(3)4/h6H,5,13H2,1-4H3,(H2,14,16,17,20)(H2,15,18,19,21)
InChIKeyYNCPYABMDUVYBA-UHFFFAOYSA-N
MW319.38 g/mol
LogP-1.40
Rot. Bonds5

About 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 592816) has the molecular formula C12H21N11 and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID592816
Molecular FormulaC12H21N11
Molecular Weight319.38 g/mol
Exact Mass319.20
IUPAC Name6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CC(N)c2nc(N)nc(N(C)C)n2)n1
InChIInChI=1S/C12H21N11/c1-22(2)11-17-7(16-9(14)20-11)5-6(13)8-18-10(15)21-12(19-8)23(3)4/h6H,5,13H2,1-4H3,(H2,14,16,17,20)(H2,15,18,19,21)
InChIKeyYNCPYABMDUVYBA-UHFFFAOYSA-N
XLogP-1.40
TPSA161.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 592816) is 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CC(N)c2nc(N)nc(N(C)C)n2)n1.
What is the InChIKey of 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YNCPYABMDUVYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N11/c1-22(2)11-17-7(16-9(14)20-11)5-6(13)8-18-10(15)21-12(19-8)23(3)4/h6H,5,13H2,1-4H3,(H2,14,16,17,20)(H2,15,18,19,21).
What are the key properties of 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 319.38 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 592816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).