4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C12H12Cl2N4O — CID 114879260

IUPAC4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H12Cl2N4O/c1-3-19-12-17-10(16-11(15-2)18-12)7-4-8(13)6-9(14)5-7/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyVUYDWGDEAOLEBX-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.29
Rot. Bonds4

About 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 114879260) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID114879260
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H12Cl2N4O/c1-3-19-12-17-10(16-11(15-2)18-12)7-4-8(13)6-9(14)5-7/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyVUYDWGDEAOLEBX-UHFFFAOYSA-N
XLogP3.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 114879260) is 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is VUYDWGDEAOLEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-3-19-12-17-10(16-11(15-2)18-12)7-4-8(13)6-9(14)5-7/h4-6H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 299.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114879260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).