6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C17H26N6O2 — CID 94501968

IUPAC6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1OCCN(C)[C@H](C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C17H26N6O2/c1-12(15-19-16(18)21-17(20-15)22(2)3)23(4)10-11-25-14-9-7-6-8-13(14)24-5/h6-9,12H,10-11H2,1-5H3,(H2,18,19,20,21)/t12-/m1/s1
InChIKeyCXGUAKILTHMJEF-GFCCVEGCSA-N
MW346.44 g/mol
LogP1.60
Rot. Bonds8

About 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 94501968) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID94501968
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1OCCN(C)[C@H](C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C17H26N6O2/c1-12(15-19-16(18)21-17(20-15)22(2)3)23(4)10-11-25-14-9-7-6-8-13(14)24-5/h6-9,12H,10-11H2,1-5H3,(H2,18,19,20,21)/t12-/m1/s1
InChIKeyCXGUAKILTHMJEF-GFCCVEGCSA-N
XLogP1.60
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 40873251
6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34692788
2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 51281605
3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile
CID 61361621
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 27396193
6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 116811235
6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38234007
2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol
CID 109398457
6-[1-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55458327

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 94501968) is 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccccc1OCCN(C)[C@H](C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CXGUAKILTHMJEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12(15-19-16(18)21-17(20-15)22(2)3)23(4)10-11-25-14-9-7-6-8-13(14)24-5/h6-9,12H,10-11H2,1-5H3,(H2,18,19,20,21)/t12-/m1/s1.
What are the key properties of 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.44 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 94501968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).