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

C18H19Cl2N5O — CID 129010576

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)13-5-7-14(8-6-13)26-10-11-3-4-12(19)9-15(11)20/h3-9H,10H2,1-2H3,(H4,21,22,23,24)
InChIKeyGFTNXWXBGUTRIZ-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.76
Rot. Bonds4

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

1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 129010576) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID129010576
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)13-5-7-14(8-6-13)26-10-11-3-4-12(19)9-15(11)20/h3-9H,10H2,1-2H3,(H4,21,22,23,24)
InChIKeyGFTNXWXBGUTRIZ-UHFFFAOYSA-N
XLogP3.76
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 129010576) is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GFTNXWXBGUTRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)13-5-7-14(8-6-13)26-10-11-3-4-12(19)9-15(11)20/h3-9H,10H2,1-2H3,(H4,21,22,23,24).
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 392.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129010576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).