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

C11H11ClN4O — CID 80869398

IUPAC4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2ccccc2C)n1
InChIInChI=1S/C11H11ClN4O/c1-7-5-3-4-6-8(7)17-11-15-9(12)14-10(13-2)16-11/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeyDZEGTXNFMPONAD-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.67
Rot. Bonds3

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

4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80869398) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80869398
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2ccccc2C)n1
InChIInChI=1S/C11H11ClN4O/c1-7-5-3-4-6-8(7)17-11-15-9(12)14-10(13-2)16-11/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeyDZEGTXNFMPONAD-UHFFFAOYSA-N
XLogP2.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-chloro-6-(4-chloro-2-methylphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80869238
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80864002
4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80870186
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile
CID 107669785
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine (CID 80869398) is 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Oc2ccccc2C)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is DZEGTXNFMPONAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-5-3-4-6-8(7)17-11-15-9(12)14-10(13-2)16-11/h3-6H,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 250.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80869398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).