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

C16H23N7 — CID 90645156

IUPAC4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)CC1
InChIInChI=1S/C16H23N7/c1-21(2)13-6-4-12(5-7-13)14-18-15(17)20-16(19-14)23-10-8-22(3)9-11-23/h4-7H,8-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyDCQRUGBVMMTFOE-UHFFFAOYSA-N
MW313.41 g/mol
LogP0.94
Rot. Bonds3

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

4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645156) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645156
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)CC1
InChIInChI=1S/C16H23N7/c1-21(2)13-6-4-12(5-7-13)14-18-15(17)20-16(19-14)23-10-8-22(3)9-11-23/h4-7H,8-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyDCQRUGBVMMTFOE-UHFFFAOYSA-N
XLogP0.94
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645156) is 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)CC1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DCQRUGBVMMTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-21(2)13-6-4-12(5-7-13)14-18-15(17)20-16(19-14)23-10-8-22(3)9-11-23/h4-7H,8-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 313.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).