4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine

C13H16N8 — CID 18989391

IUPAC4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(-c2nc(N(C)C)nc(-n3ccnc3)n2)[nH]c1C
InChIInChI=1S/C13H16N8/c1-8-9(2)16-10(15-8)11-17-12(20(3)4)19-13(18-11)21-6-5-14-7-21/h5-7H,1-4H3,(H,15,16)
InChIKeyPLHMNFPYNLOXAK-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.13
Rot. Bonds3

About 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 18989391) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID18989391
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(-c2nc(N(C)C)nc(-n3ccnc3)n2)[nH]c1C
InChIInChI=1S/C13H16N8/c1-8-9(2)16-10(15-8)11-17-12(20(3)4)19-13(18-11)21-6-5-14-7-21/h5-7H,1-4H3,(H,15,16)
InChIKeyPLHMNFPYNLOXAK-UHFFFAOYSA-N
XLogP1.13
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 18989391) is 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine is Cc1nc(-c2nc(N(C)C)nc(-n3ccnc3)n2)[nH]c1C.
What is the InChIKey of 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is PLHMNFPYNLOXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-8-9(2)16-10(15-8)11-17-12(20(3)4)19-13(18-11)21-6-5-14-7-21/h5-7H,1-4H3,(H,15,16).
What are the key properties of 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 284.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 18989391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).