2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

C13H15Cl2N5O — CID 80768130

IUPAC2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cc(Cl)ccc2Cl)nc(OCC)n1
InChIInChI=1S/C13H15Cl2N5O/c1-3-16-11-18-12(20-13(19-11)21-4-2)17-10-7-8(14)5-6-9(10)15/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyMRPJAPAEYVIDAI-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.75
Rot. Bonds6

About 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80768130) has the molecular formula C13H15Cl2N5O and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80768130
Molecular FormulaC13H15Cl2N5O
Molecular Weight328.20 g/mol
Exact Mass327.07
IUPAC Name2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cc(Cl)ccc2Cl)nc(OCC)n1
InChIInChI=1S/C13H15Cl2N5O/c1-3-16-11-18-12(20-13(19-11)21-4-2)17-10-7-8(14)5-6-9(10)15/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyMRPJAPAEYVIDAI-UHFFFAOYSA-N
XLogP3.75
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80728885
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80870824
6-chloro-2-N-(2-chloro-5-methylphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107638979
6-ethoxy-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80768642
6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107531871
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80768130) is 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2cc(Cl)ccc2Cl)nc(OCC)n1.
What is the InChIKey of 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MRPJAPAEYVIDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5O/c1-3-16-11-18-12(20-13(19-11)21-4-2)17-10-7-8(14)5-6-9(10)15/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 328.20 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80768130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).