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

C17H16ClN5O2 — CID 4553735

IUPAC6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Nc2nc(Cl)nc(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C17H16ClN5O2/c1-24-13-7-3-5-11(9-13)19-16-21-15(18)22-17(23-16)20-12-6-4-8-14(10-12)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyLAQNMYVFOLRIDQ-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.03
Rot. Bonds6

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

6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 4553735) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID4553735
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Nc2nc(Cl)nc(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C17H16ClN5O2/c1-24-13-7-3-5-11(9-13)19-16-21-15(18)22-17(23-16)20-12-6-4-8-14(10-12)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyLAQNMYVFOLRIDQ-UHFFFAOYSA-N
XLogP4.03
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 4553735) is 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cccc(Nc2nc(Cl)nc(Nc3cccc(OC)c3)n2)c1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LAQNMYVFOLRIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-24-13-7-3-5-11(9-13)19-16-21-15(18)22-17(23-16)20-12-6-4-8-14(10-12)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 357.80 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4553735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).