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

C17H26N6O — CID 34722791

IUPAC2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(OCCN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C17H26N6O/c1-12-7-6-8-14(11-12)24-10-9-23(5)13(2)15-19-16(18)21-17(20-15)22(3)4/h6-8,11,13H,9-10H2,1-5H3,(H2,18,19,20,21)/t13-/m0/s1
InChIKeyXOTZLOMFSNRIOE-ZDUSSCGKSA-N
MW330.44 g/mol
LogP1.90
Rot. Bonds7

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

2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 34722791) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID34722791
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(OCCN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C17H26N6O/c1-12-7-6-8-14(11-12)24-10-9-23(5)13(2)15-19-16(18)21-17(20-15)22(3)4/h6-8,11,13H,9-10H2,1-5H3,(H2,18,19,20,21)/t13-/m0/s1
InChIKeyXOTZLOMFSNRIOE-ZDUSSCGKSA-N
XLogP1.90
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,2-N-dimethyl-6-[1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42894550
6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 94501968
4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide
CID 35887109
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 25462028
N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 78845383
6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17449981
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
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
6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38234007
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine (CID 34722791) is 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(OCCN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XOTZLOMFSNRIOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12-7-6-8-14(11-12)24-10-9-23(5)13(2)15-19-16(18)21-17(20-15)22(3)4/h6-8,11,13H,9-10H2,1-5H3,(H2,18,19,20,21)/t13-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 330.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34722791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).