2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine

C19H24N6 — CID 51281605

IUPAC2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H24N6/c1-13(17-21-18(20)23-19(22-17)24(2)3)25(4)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11,13H,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyIJSFAGCOZVYQLH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.87
Rot. Bonds5

About 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 51281605) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID51281605
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H24N6/c1-13(17-21-18(20)23-19(22-17)24(2)3)25(4)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11,13H,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyIJSFAGCOZVYQLH-UHFFFAOYSA-N
XLogP2.87
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine (CID 51281605) is 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IJSFAGCOZVYQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13(17-21-18(20)23-19(22-17)24(2)3)25(4)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11,13H,12H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 51281605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).