6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine

C13H19N7O — CID 82751261

IUPAC6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C2CCOC2C)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-9-10(4-7-21-9)19(3)12-16-11(14-2)17-13(18-12)20-6-5-15-8-20/h5-6,8-10H,4,7H2,1-3H3,(H,14,16,17,18)
InChIKeyCZTXKOSAVKIQBJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.71
Rot. Bonds4

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

6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 82751261) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID82751261
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C2CCOC2C)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-9-10(4-7-21-9)19(3)12-16-11(14-2)17-13(18-12)20-6-5-15-8-20/h5-6,8-10H,4,7H2,1-3H3,(H,14,16,17,18)
InChIKeyCZTXKOSAVKIQBJ-UHFFFAOYSA-N
XLogP0.71
TPSA80.99 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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
CID 82748550
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
4-N-butyl-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80754617
4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80872070
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
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976
6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80791148
4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80865599
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82745772
5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745879
2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114542122

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine (CID 82751261) is 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)C2CCOC2C)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CZTXKOSAVKIQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9-10(4-7-21-9)19(3)12-16-11(14-2)17-13(18-12)20-6-5-15-8-20/h5-6,8-10H,4,7H2,1-3H3,(H,14,16,17,18).
What are the key properties of 6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 0.71, 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-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82751261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).