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

C17H28ClN17 — CID 89059466

IUPAC2-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
SMILESCN(CCN(C)c1nc(Cl)nc(N(C)CCN(C)c2nc(N)nc(N)n2)n1)c1nc(N)nc(N)n1
InChIInChI=1S/C17H28ClN17/c1-32(5-7-34(3)16-27-10(19)25-11(20)28-16)14-23-9(18)24-15(31-14)33(2)6-8-35(4)17-29-12(21)26-13(22)30-17/h5-8H2,1-4H3,(H4,19,20,25,27,28)(H4,21,22,26,29,30)
InChIKeyKIVHPTPXQJBSIK-UHFFFAOYSA-N
MW505.98 g/mol
LogP-1.63
Rot. Bonds10

About 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

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 (PubChem CID 89059466) has the molecular formula C17H28ClN17 and a molecular weight of 505.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID89059466
Molecular FormulaC17H28ClN17
Molecular Weight505.98 g/mol
Exact Mass505.24
IUPAC Name2-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
SMILESCN(CCN(C)c1nc(Cl)nc(N(C)CCN(C)c2nc(N)nc(N)n2)n1)c1nc(N)nc(N)n1
InChIInChI=1S/C17H28ClN17/c1-32(5-7-34(3)16-27-10(19)25-11(20)28-16)14-23-9(18)24-15(31-14)33(2)6-8-35(4)17-29-12(21)26-13(22)30-17/h5-8H2,1-4H3,(H4,19,20,25,27,28)(H4,21,22,26,29,30)
InChIKeyKIVHPTPXQJBSIK-UHFFFAOYSA-N
XLogP-1.63
TPSA233.05 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.98
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CCN(C)c1nc(Cl)nc(N(C)CCN(C)c2nc(N)nc(N)n2)n1)c1nc(N)nc(N)n1.
What is the InChIKey of 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?
The InChIKey is KIVHPTPXQJBSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN17/c1-32(5-7-34(3)16-27-10(19)25-11(20)28-16)14-23-9(18)24-15(31-14)33(2)6-8-35(4)17-29-12(21)26-13(22)30-17/h5-8H2,1-4H3,(H4,19,20,25,27,28)(H4,21,22,26,29,30).
What are the key properties of 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?
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 has a molecular weight of 505.98 g/mol, XLogP of -1.63, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89059466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).