6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C11H12ClN5O — CID 80816535

IUPAC6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1N(C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-17(7-5-3-4-6-8(7)18-2)11-15-9(12)14-10(13)16-11/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyJCNNEUSVRJOPPH-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.88
Rot. Bonds3

About 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80816535) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80816535
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1N(C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-17(7-5-3-4-6-8(7)18-2)11-15-9(12)14-10(13)16-11/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyJCNNEUSVRJOPPH-UHFFFAOYSA-N
XLogP1.88
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80816535) is 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is COc1ccccc1N(C)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JCNNEUSVRJOPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-17(7-5-3-4-6-8(7)18-2)11-15-9(12)14-10(13)16-11/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 265.70 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80816535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).