6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine

C13H14N8 — CID 80771615

IUPAC6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2ccncc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H14N8/c1-14-11-18-12(17-8-10-2-4-15-5-3-10)20-13(19-11)21-7-6-16-9-21/h2-7,9H,8H2,1H3,(H2,14,17,18,19,20)
InChIKeyHJIVTMIGTBYGCI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.11
Rot. Bonds5

About 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80771615) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80771615
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2ccncc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H14N8/c1-14-11-18-12(17-8-10-2-4-15-5-3-10)20-13(19-11)21-7-6-16-9-21/h2-7,9H,8H2,1H3,(H2,14,17,18,19,20)
InChIKeyHJIVTMIGTBYGCI-UHFFFAOYSA-N
XLogP1.11
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
CID 106296305
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80813614
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80791148
2-N-(2-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737556
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80872626
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80771615) is 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NCc2ccncc2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HJIVTMIGTBYGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-14-11-18-12(17-8-10-2-4-15-5-3-10)20-13(19-11)21-7-6-16-9-21/h2-7,9H,8H2,1H3,(H2,14,17,18,19,20).
What are the key properties of 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 282.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80771615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).