4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine

C12H13ClN4O — CID 62869628

IUPAC4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1ccccc1Oc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13ClN4O/c1-8-6-4-5-7-9(8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3
InChIKeyULTRJXZZFIEEBG-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 62869628) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
PubChem CID62869628
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1ccccc1Oc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13ClN4O/c1-8-6-4-5-7-9(8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3
InChIKeyULTRJXZZFIEEBG-UHFFFAOYSA-N
XLogP2.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2,4-dimethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62868271
4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 62869809
4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869398
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 12846659
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 27396193
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 115492551
4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine (CID 62869628) is 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine is Cc1ccccc1Oc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is ULTRJXZZFIEEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-6-4-5-7-9(8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).