6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H16ClN5 — CID 62868831

IUPAC6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(Cl)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H16ClN5/c1-4-9-5-7-10(8-6-9)15-12-16-11(14)17-13(18-12)19(2)3/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyDUQMQDBJXRWQQC-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.90
Rot. Bonds4

About 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62868831) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62868831
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(Cl)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H16ClN5/c1-4-9-5-7-10(8-6-9)15-12-16-11(14)17-13(18-12)19(2)3/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyDUQMQDBJXRWQQC-UHFFFAOYSA-N
XLogP2.90
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 135338335
4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,2-dicarbonitrile
CID 107792353
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80887308
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
[4-chloro-6-(4-chloroanilino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 826219
4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107576918
[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 826222
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80769203
6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 63549392
6-chloro-4-N-(2,5-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55124757
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80737154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62868831) is 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCc1ccc(Nc2nc(Cl)nc(N(C)C)n2)cc1.
What is the InChIKey of 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DUQMQDBJXRWQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-4-9-5-7-10(8-6-9)15-12-16-11(14)17-13(18-12)19(2)3/h5-8H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.76 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62868831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).