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

C13H21N7 — CID 80815490

IUPAC4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCC(N(C)c1nc(N)nc(-n2ccnc2)n1)C(C)(C)C
InChIInChI=1S/C13H21N7/c1-9(13(2,3)4)19(5)11-16-10(14)17-12(18-11)20-7-6-15-8-20/h6-9H,1-5H3,(H2,14,16,17,18)
InChIKeyZCLHSHQGHKILNC-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds3

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

4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80815490) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80815490
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCC(N(C)c1nc(N)nc(-n2ccnc2)n1)C(C)(C)C
InChIInChI=1S/C13H21N7/c1-9(13(2,3)4)19(5)11-16-10(14)17-12(18-11)20-7-6-15-8-20/h6-9H,1-5H3,(H2,14,16,17,18)
InChIKeyZCLHSHQGHKILNC-UHFFFAOYSA-N
XLogP1.51
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789035
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815319
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80815490) is 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is CC(N(C)c1nc(N)nc(-n2ccnc2)n1)C(C)(C)C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZCLHSHQGHKILNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-9(13(2,3)4)19(5)11-16-10(14)17-12(18-11)20-7-6-15-8-20/h6-9H,1-5H3,(H2,14,16,17,18).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80815490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).