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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

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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