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

C13H23N11 — CID 592815

IUPAC6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CCC(N)c2nc(N)nc(N(C)C)n2)n1
InChIInChI=1S/C13H23N11/c1-23(2)12-18-8(17-10(15)21-12)6-5-7(14)9-19-11(16)22-13(20-9)24(3)4/h7H,5-6,14H2,1-4H3,(H2,15,17,18,21)(H2,16,19,20,22)
InChIKeyOTVHOAAGEHNBQT-UHFFFAOYSA-N
MW333.40 g/mol
LogP-1.01
Rot. Bonds6

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

6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 592815) has the molecular formula C13H23N11 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID592815
Molecular FormulaC13H23N11
Molecular Weight333.40 g/mol
Exact Mass333.21
IUPAC Name6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CCC(N)c2nc(N)nc(N(C)C)n2)n1
InChIInChI=1S/C13H23N11/c1-23(2)12-18-8(17-10(15)21-12)6-5-7(14)9-19-11(16)22-13(20-9)24(3)4/h7H,5-6,14H2,1-4H3,(H2,15,17,18,21)(H2,16,19,20,22)
InChIKeyOTVHOAAGEHNBQT-UHFFFAOYSA-N
XLogP-1.01
TPSA161.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.40
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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Launch Full Analysis

Related Compounds

4-(4-Methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 63868328
[4-(Cyclohexylamino)-6-piperazin-4-ium-1-yl-1,3,5-triazin-2-yl]methylazanium
CID 72200123
6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 75420218
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
CID 171358992
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
CID 132378848
6-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17470448
1,3,5-Triazine,A-28
CID 63868036
1,3,5-Triazine,A-32
CID 101948292
2-(1-Amino-3-methyl)butyl-4-amino-6-dimethylamino-s-triazine
CID 551357
1,2-Bis(4-amino-6-dimethylamino-s-triazin-2-yl)ethanamine
CID 592816
2-(1,5-Diamino)pentyl-4-amino-6-dimethylamino-s-triazine
CID 597648
1,6-Bis((4-amino-6-methyl-1,3,5-triazin-2-YL)amino)hexane
CID 606605

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 592815) is 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CCC(N)c2nc(N)nc(N(C)C)n2)n1.
What is the InChIKey of 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OTVHOAAGEHNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N11/c1-23(2)12-18-8(17-10(15)21-12)6-5-7(14)9-19-11(16)22-13(20-9)24(3)4/h7H,5-6,14H2,1-4H3,(H2,15,17,18,21)(H2,16,19,20,22).
What are the key properties of 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 333.40 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 592815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).