6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine

C10H9Cl2N5O — CID 9137860

IUPAC6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H9Cl2N5O/c11-6-2-1-5(3-7(6)12)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4H2,(H4,13,14,15,16,17)
InChIKeyGRIBLWNFTMWHMO-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.92
Rot. Bonds3

About 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine

6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 9137860) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID9137860
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC Name6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H9Cl2N5O/c11-6-2-1-5(3-7(6)12)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4H2,(H4,13,14,15,16,17)
InChIKeyGRIBLWNFTMWHMO-UHFFFAOYSA-N
XLogP1.92
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
5-[(3,4-dichlorophenoxy)methyl]benzene-1,3-diamine
CID 18763424
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084480
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82089694
[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246555
6-[(3-nitrophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 32702957
4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
CID 80664866
3-bromo-2-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460309

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine (CID 9137860) is 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(COc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GRIBLWNFTMWHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c11-6-2-1-5(3-7(6)12)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4H2,(H4,13,14,15,16,17).
What are the key properties of 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 286.12 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 9137860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).