1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine

C16H16ClN5O — CID 2852146

IUPAC1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN5O/c1-23-13-8-2-10(3-9-13)14-20-15(18)21-16(19)22(14)12-6-4-11(17)5-7-12/h2-9,14H,1H3,(H4,18,19,20,21)
InChIKeyTVBZVYXACAHJBC-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine

1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine (PubChem CID 2852146) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
PubChem CID2852146
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN5O/c1-23-13-8-2-10(3-9-13)14-20-15(18)21-16(19)22(14)12-6-4-11(17)5-7-12/h2-9,14H,1H3,(H4,18,19,20,21)
InChIKeyTVBZVYXACAHJBC-UHFFFAOYSA-N
XLogP2.50
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine (CID 2852146) is 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine is COc1ccc(C2N=C(N)N=C(N)N2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is TVBZVYXACAHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-23-13-8-2-10(3-9-13)14-20-15(18)21-16(19)22(14)12-6-4-11(17)5-7-12/h2-9,14H,1H3,(H4,18,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 329.79 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 2852146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).