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

C18H28N6O3 — CID 40873251

IUPAC2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1OC
InChIInChI=1S/C18H28N6O3/c1-11(16-20-17(19)22-18(21-16)23(2)3)24(4)10-12-8-9-13(25-5)15(27-7)14(12)26-6/h8-9,11H,10H2,1-7H3,(H2,19,20,21,22)/t11-/m1/s1
InChIKeyOICOFSOGDDQYCW-LLVKDONJSA-N
MW376.46 g/mol
LogP1.74
Rot. Bonds8

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

2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 40873251) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID40873251
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1OC
InChIInChI=1S/C18H28N6O3/c1-11(16-20-17(19)22-18(21-16)23(2)3)24(4)10-12-8-9-13(25-5)15(27-7)14(12)26-6/h8-9,11H,10H2,1-7H3,(H2,19,20,21,22)/t11-/m1/s1
InChIKeyOICOFSOGDDQYCW-LLVKDONJSA-N
XLogP1.74
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17449981
6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34692788
6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38234007
2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 51281605
2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 94031758
2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42926111
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 131892899
2-N,2-N-dimethyl-6-[1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42894550
2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 34722791
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol
CID 109398457
(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 95121409

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (CID 40873251) is 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is COc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1OC.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OICOFSOGDDQYCW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-11(16-20-17(19)22-18(21-16)23(2)3)24(4)10-12-8-9-13(25-5)15(27-7)14(12)26-6/h8-9,11H,10H2,1-7H3,(H2,19,20,21,22)/t11-/m1/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 376.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 40873251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).