1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione

C19H19Cl4N5O2 — CID 134919173

IUPAC1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione
SMILESCN(C)C1N(c2cc(Cl)ccc2Cl)C(=O)N(c2cc(Cl)ccc2Cl)C(=O)N1N(C)C
InChIInChI=1S/C19H19Cl4N5O2/c1-24(2)17-26(15-9-11(20)5-7-13(15)22)18(29)27(19(30)28(17)25(3)4)16-10-12(21)6-8-14(16)23/h5-10,17H,1-4H3
InChIKeyUOQQFTCNXBXXOS-UHFFFAOYSA-N
MW491.21 g/mol
LogP5.49
Rot. Bonds4

About 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione

1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione (PubChem CID 134919173) has the molecular formula C19H19Cl4N5O2 and a molecular weight of 491.21 g/mol. Its IUPAC name is 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione
PubChem CID134919173
Molecular FormulaC19H19Cl4N5O2
Molecular Weight491.21 g/mol
Exact Mass489.03
IUPAC Name1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione
SMILESCN(C)C1N(c2cc(Cl)ccc2Cl)C(=O)N(c2cc(Cl)ccc2Cl)C(=O)N1N(C)C
InChIInChI=1S/C19H19Cl4N5O2/c1-24(2)17-26(15-9-11(20)5-7-13(15)22)18(29)27(19(30)28(17)25(3)4)16-10-12(21)6-8-14(16)23/h5-10,17H,1-4H3
InChIKeyUOQQFTCNXBXXOS-UHFFFAOYSA-N
XLogP5.49
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.21
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione (CID 134919173) is 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione is CN(C)C1N(c2cc(Cl)ccc2Cl)C(=O)N(c2cc(Cl)ccc2Cl)C(=O)N1N(C)C.
What is the InChIKey of 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione?
The InChIKey is UOQQFTCNXBXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl4N5O2/c1-24(2)17-26(15-9-11(20)5-7-13(15)22)18(29)27(19(30)28(17)25(3)4)16-10-12(21)6-8-14(16)23/h5-10,17H,1-4H3.
What are the key properties of 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione?
1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione has a molecular weight of 491.21 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,5-dichlorophenyl)-5,6-bis(dimethylamino)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 134919173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).