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

C7H11N11 — CID 144607170

IUPAC2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(N)nc(N)n1)c1nc(N)nc(N)n1
InChIInChI=1S/C7H11N11/c1-18(6-14-2(8)12-3(9)15-6)7-16-4(10)13-5(11)17-7/h1H3,(H4,8,9,12,14,15)(H4,10,11,13,16,17)
InChIKeyXXVXSAZMFOIASV-UHFFFAOYSA-N
MW249.24 g/mol
LogP-1.85
Rot. Bonds2

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

2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 144607170) has the molecular formula C7H11N11 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID144607170
Molecular FormulaC7H11N11
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(N)nc(N)n1)c1nc(N)nc(N)n1
InChIInChI=1S/C7H11N11/c1-18(6-14-2(8)12-3(9)15-6)7-16-4(10)13-5(11)17-7/h1H3,(H4,8,9,12,14,15)(H4,10,11,13,16,17)
InChIKeyXXVXSAZMFOIASV-UHFFFAOYSA-N
XLogP-1.85
TPSA184.66 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.24
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol
CID 159467216
1,3,5-triazine-2,4,6-triamine
CID 22011128
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
1,3,5-triazine-2,4,6-triamine;trimethoxymethane
CID 135335672
CID 175112486
CID 175112486
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
2-N-(3,5-dimethylphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80818142
N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 54375896
2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140510686
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 144607170) is 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CN(c1nc(N)nc(N)n1)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XXVXSAZMFOIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N11/c1-18(6-14-2(8)12-3(9)15-6)7-16-4(10)13-5(11)17-7/h1H3,(H4,8,9,12,14,15)(H4,10,11,13,16,17).
What are the key properties of 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 249.24 g/mol, XLogP of -1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 144607170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).