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

C15H20Cl2N6 — CID 38234007

IUPAC6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N6/c1-9(13-19-14(18)21-15(20-13)22(2)3)23(4)8-10-5-6-11(16)7-12(10)17/h5-7,9H,8H2,1-4H3,(H2,18,19,20,21)/t9-/m1/s1
InChIKeyFMHRFJDVUQQCPC-SECBINFHSA-N
MW355.27 g/mol
LogP3.02
Rot. Bonds5

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

6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 38234007) has the molecular formula C15H20Cl2N6 and a molecular weight of 355.27 g/mol. Its IUPAC name is 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID38234007
Molecular FormulaC15H20Cl2N6
Molecular Weight355.27 g/mol
Exact Mass354.11
IUPAC Name6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N6/c1-9(13-19-14(18)21-15(20-13)22(2)3)23(4)8-10-5-6-11(16)7-12(10)17/h5-7,9H,8H2,1-4H3,(H2,18,19,20,21)/t9-/m1/s1
InChIKeyFMHRFJDVUQQCPC-SECBINFHSA-N
XLogP3.02
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 40873251
2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 51281605
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
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-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
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
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 102662933
2-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135926783
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 38234007) is 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FMHRFJDVUQQCPC-SECBINFHSA-N. The full InChI is InChI=1S/C15H20Cl2N6/c1-9(13-19-14(18)21-15(20-13)22(2)3)23(4)8-10-5-6-11(16)7-12(10)17/h5-7,9H,8H2,1-4H3,(H2,18,19,20,21)/t9-/m1/s1.
What are the key properties of 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 355.27 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 38234007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).