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

C9H13N7 — CID 676139

IUPAC6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Cn2ccnc2)n1
InChIInChI=1S/C9H13N7/c1-15(2)9-13-7(12-8(10)14-9)5-16-4-3-11-6-16/h3-4,6H,5H2,1-2H3,(H2,10,12,13,14)
InChIKeyRXZROPFOOJMIMQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.24
Rot. Bonds3

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

6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 676139) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID676139
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Cn2ccnc2)n1
InChIInChI=1S/C9H13N7/c1-15(2)9-13-7(12-8(10)14-9)5-16-4-3-11-6-16/h3-4,6H,5H2,1-2H3,(H2,10,12,13,14)
InChIKeyRXZROPFOOJMIMQ-UHFFFAOYSA-N
XLogP-0.24
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 676139) is 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Cn2ccnc2)n1.
What is the InChIKey of 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RXZROPFOOJMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-15(2)9-13-7(12-8(10)14-9)5-16-4-3-11-6-16/h3-4,6H,5H2,1-2H3,(H2,10,12,13,14).
What are the key properties of 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 219.25 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazol-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 676139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).