2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C19H16Cl4N6O — CID 127025692

IUPAC2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C19H16Cl4N6O/c20-13-3-1-11(9-15(13)22)24-17-26-18(25-12-2-4-14(21)16(23)10-12)28-19(27-17)29-5-7-30-8-6-29/h1-4,9-10H,5-8H2,(H2,24,25,26,27,28)
InChIKeyQXMPIJFTMJUUCE-UHFFFAOYSA-N
MW486.19 g/mol
LogP5.81
Rot. Bonds5

About 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 127025692) has the molecular formula C19H16Cl4N6O and a molecular weight of 486.19 g/mol. Its IUPAC name is 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID127025692
Molecular FormulaC19H16Cl4N6O
Molecular Weight486.19 g/mol
Exact Mass484.01
IUPAC Name2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C19H16Cl4N6O/c20-13-3-1-11(9-15(13)22)24-17-26-18(25-12-2-4-14(21)16(23)10-12)28-19(27-17)29-5-7-30-8-6-29/h1-4,9-10H,5-8H2,(H2,24,25,26,27,28)
InChIKeyQXMPIJFTMJUUCE-UHFFFAOYSA-N
XLogP5.81
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.19
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 127025692) is 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Clc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1Cl.
What is the InChIKey of 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QXMPIJFTMJUUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl4N6O/c20-13-3-1-11(9-15(13)22)24-17-26-18(25-12-2-4-14(21)16(23)10-12)28-19(27-17)29-5-7-30-8-6-29/h1-4,9-10H,5-8H2,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 486.19 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3,4-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127025692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).