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

C13H19N7O — CID 80817419

IUPAC6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(CC1CCCOC1)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-19(7-10-3-2-6-21-8-10)12-16-11(14)17-13(18-12)20-5-4-15-9-20/h4-5,9-10H,2-3,6-8H2,1H3,(H2,14,16,17,18)
InChIKeyOQFQBJKTFLBUKW-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.50
Rot. Bonds4

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

6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80817419) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80817419
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(CC1CCCOC1)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-19(7-10-3-2-6-21-8-10)12-16-11(14)17-13(18-12)20-5-4-15-9-20/h4-5,9-10H,2-3,6-8H2,1H3,(H2,14,16,17,18)
InChIKeyOQFQBJKTFLBUKW-UHFFFAOYSA-N
XLogP0.50
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63706080
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80787769
4-imidazol-1-yl-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 80781643
6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80779197
4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
CID 81131398
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80817419) is 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CN(CC1CCCOC1)c1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OQFQBJKTFLBUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-19(7-10-3-2-6-21-8-10)12-16-11(14)17-13(18-12)20-5-4-15-9-20/h4-5,9-10H,2-3,6-8H2,1H3,(H2,14,16,17,18).
What are the key properties of 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80817419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).