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

C14H15N7 — CID 80798257

IUPAC6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N(C)c2nc(N)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C14H15N7/c1-10-3-5-11(6-4-10)20(2)13-17-12(15)18-14(19-13)21-8-7-16-9-21/h3-9H,1-2H3,(H2,15,17,18,19)
InChIKeyLTCCYKUUHNQLLL-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.72
Rot. Bonds3

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

6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80798257) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80798257
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N(C)c2nc(N)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C14H15N7/c1-10-3-5-11(6-4-10)20(2)13-17-12(15)18-14(19-13)21-8-7-16-9-21/h3-9H,1-2H3,(H2,15,17,18,19)
InChIKeyLTCCYKUUHNQLLL-UHFFFAOYSA-N
XLogP1.72
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80787769
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80779197
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 80798257) is 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(N(C)c2nc(N)nc(-n3ccnc3)n2)cc1.
What is the InChIKey of 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LTCCYKUUHNQLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-10-3-5-11(6-4-10)20(2)13-17-12(15)18-14(19-13)21-8-7-16-9-21/h3-9H,1-2H3,(H2,15,17,18,19).
What are the key properties of 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80798257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).