4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine

C12H13ClN4O2 — CID 80876273

IUPAC4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2cccc(COC)c2)n1
InChIInChI=1S/C12H13ClN4O2/c1-14-11-15-10(13)16-12(17-11)19-9-5-3-4-8(6-9)7-18-2/h3-6H,7H2,1-2H3,(H,14,15,16,17)
InChIKeyLBBNRULGTNRYCY-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.51
Rot. Bonds5

About 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80876273) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine
PubChem CID80876273
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2cccc(COC)c2)n1
InChIInChI=1S/C12H13ClN4O2/c1-14-11-15-10(13)16-12(17-11)19-9-5-3-4-8(6-9)7-18-2/h3-6H,7H2,1-2H3,(H,14,15,16,17)
InChIKeyLBBNRULGTNRYCY-UHFFFAOYSA-N
XLogP2.51
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80870186
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
6-[3-(methoxymethyl)phenoxy]-N-methylpyridin-2-amine
CID 80876349
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-methoxy-6-[(3-methoxyphenyl)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80868535
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
CID 63986769
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
6-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80794627
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800
4-chloro-6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-1,3,5-triazin-2-amine
CID 80878499
2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine
CID 63985764

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine (CID 80876273) is 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Oc2cccc(COC)c2)n1.
What is the InChIKey of 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is LBBNRULGTNRYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-14-11-15-10(13)16-12(17-11)19-9-5-3-4-8(6-9)7-18-2/h3-6H,7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80876273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).