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

C16H13Cl2N5O — CID 10269990

IUPAC6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N5O/c1-24-13-7-4-10(18)8-12(13)14-21-15(19)23-16(22-14)20-11-5-2-9(17)3-6-11/h2-8H,1H3,(H3,19,20,21,22,23)
InChIKeyKOMXYPUCIGOTMK-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.18
Rot. Bonds4

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

6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10269990) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10269990
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N5O/c1-24-13-7-4-10(18)8-12(13)14-21-15(19)23-16(22-14)20-11-5-2-9(17)3-6-11/h2-8H,1H3,(H3,19,20,21,22,23)
InChIKeyKOMXYPUCIGOTMK-UHFFFAOYSA-N
XLogP4.18
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 10269990) is 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KOMXYPUCIGOTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-24-13-7-4-10(18)8-12(13)14-21-15(19)23-16(22-14)20-11-5-2-9(17)3-6-11/h2-8H,1H3,(H3,19,20,21,22,23).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 362.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10269990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).