4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine

C13H15ClN4O2 — CID 80882083

IUPAC4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1ccc(Oc2nc(Cl)nc(NC)n2)cc1
InChIInChI=1S/C13H15ClN4O2/c1-3-8-19-9-4-6-10(7-5-9)20-13-17-11(14)16-12(15-2)18-13/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyZQIZHBBXZBIAOI-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.15
Rot. Bonds6

About 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80882083) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
PubChem CID80882083
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1ccc(Oc2nc(Cl)nc(NC)n2)cc1
InChIInChI=1S/C13H15ClN4O2/c1-3-8-19-9-4-6-10(7-5-9)20-13-17-11(14)16-12(15-2)18-13/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyZQIZHBBXZBIAOI-UHFFFAOYSA-N
XLogP3.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80882090
[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915901
6-methoxy-4-N-methyl-2-N-(4-propoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80799796
4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80870186
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine (CID 80882083) is 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine is CCCOc1ccc(Oc2nc(Cl)nc(NC)n2)cc1.
What is the InChIKey of 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is ZQIZHBBXZBIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-8-19-9-4-6-10(7-5-9)20-13-17-11(14)16-12(15-2)18-13/h4-7H,3,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 294.74 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).