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

C12H15Cl2N5O — CID 3008705

IUPAC1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine
SMILESCCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N5O/c1-2-10-17-11(15)18-12(16)19(10)20-6-7-3-4-8(13)9(14)5-7/h3-5,10H,2,6H2,1H3,(H4,15,16,17,18)
InChIKeyCGOUVGAMQAGHPZ-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.11
Rot. Bonds4

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

1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 3008705) has the molecular formula C12H15Cl2N5O and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID3008705
Molecular FormulaC12H15Cl2N5O
Molecular Weight316.19 g/mol
Exact Mass315.07
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine
SMILESCCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N5O/c1-2-10-17-11(15)18-12(16)19(10)20-6-7-3-4-8(13)9(14)5-7/h3-5,10H,2,6H2,1H3,(H4,15,16,17,18)
InChIKeyCGOUVGAMQAGHPZ-UHFFFAOYSA-N
XLogP2.11
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.11
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-ethyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine (CID 3008705) is 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine is CCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is CGOUVGAMQAGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5O/c1-2-10-17-11(15)18-12(16)19(10)20-6-7-3-4-8(13)9(14)5-7/h3-5,10H,2,6H2,1H3,(H4,15,16,17,18).
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine?
1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 316.19 g/mol, XLogP of 2.11, 4 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-ethyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 3008705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).