1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine

C11H13Cl2N5O — CID 3008704

IUPAC1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine
SMILESCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N5O/c1-6-16-10(14)17-11(15)18(6)19-5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H4,14,15,16,17)
InChIKeyZBLYBHYGBADKIE-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.72
Rot. Bonds3

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

1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 3008704) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID3008704
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine
SMILESCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N5O/c1-6-16-10(14)17-11(15)18(6)19-5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H4,14,15,16,17)
InChIKeyZBLYBHYGBADKIE-UHFFFAOYSA-N
XLogP1.72
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine (CID 3008704) is 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine is CC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is ZBLYBHYGBADKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O/c1-6-16-10(14)17-11(15)18(6)19-5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H4,14,15,16,17).
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine?
1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 302.17 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methoxy]-2-methyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 3008704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).