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

C14H18ClN5O — CID 80728885

IUPAC2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cc(Cl)ccc2C)nc(OCC)n1
InChIInChI=1S/C14H18ClN5O/c1-4-16-12-18-13(20-14(19-12)21-5-2)17-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYXMXHZHAURSCBB-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.41
Rot. Bonds6

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

2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80728885) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80728885
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cc(Cl)ccc2C)nc(OCC)n1
InChIInChI=1S/C14H18ClN5O/c1-4-16-12-18-13(20-14(19-12)21-5-2)17-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYXMXHZHAURSCBB-UHFFFAOYSA-N
XLogP3.41
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768130
4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80870824
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
6-ethoxy-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80768642
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-N-(5-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929955
4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80728885) is 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2cc(Cl)ccc2C)nc(OCC)n1.
What is the InChIKey of 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YXMXHZHAURSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-16-12-18-13(20-14(19-12)21-5-2)17-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80728885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).