4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine

C19H22N6 — CID 54222591

IUPAC4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine
SMILESCN(C)c1ccc(-c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H22N6/c1-24(2)15-9-5-13(6-10-15)17-21-18(23-19(20)22-17)14-7-11-16(12-8-14)25(3)4/h5-12H,1-4H3,(H2,20,21,22,23)
InChIKeyQDQJMFUPSCYXFI-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.92
Rot. Bonds4

About 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine

4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine (PubChem CID 54222591) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine
PubChem CID54222591
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine
SMILESCN(C)c1ccc(-c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H22N6/c1-24(2)15-9-5-13(6-10-15)17-21-18(23-19(20)22-17)14-7-11-16(12-8-14)25(3)4/h5-12H,1-4H3,(H2,20,21,22,23)
InChIKeyQDQJMFUPSCYXFI-UHFFFAOYSA-N
XLogP2.92
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine (CID 54222591) is 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine is CN(C)c1ccc(-c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is QDQJMFUPSCYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-24(2)15-9-5-13(6-10-15)17-21-18(23-19(20)22-17)14-7-11-16(12-8-14)25(3)4/h5-12H,1-4H3,(H2,20,21,22,23).
What are the key properties of 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine?
4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 334.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 54222591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).