N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide

C9H15N5O — CID 68649442

IUPACN-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide
SMILESCCN(C)C=Nc1nc(C)nc(OC)n1
InChIInChI=1S/C9H15N5O/c1-5-14(3)6-10-8-11-7(2)12-9(13-8)15-4/h6H,5H2,1-4H3
InChIKeyQVYNPHFURJCUJL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.80
Rot. Bonds4

About N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide

N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide (PubChem CID 68649442) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide
PubChem CID68649442
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide
SMILESCCN(C)C=Nc1nc(C)nc(OC)n1
InChIInChI=1S/C9H15N5O/c1-5-14(3)6-10-8-11-7(2)12-9(13-8)15-4/h6H,5H2,1-4H3
InChIKeyQVYNPHFURJCUJL-UHFFFAOYSA-N
XLogP0.80
TPSA63.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 15466
CID 15466
CID 160779
CID 160779
CID 672105
CID 672105
CID 709138
CID 709138
CID 199902
CID 199902
CID 199908
CID 199908
CID 19904
CID 19904
CID 19197
CID 19197
CID 20940
CID 20940
CID 20209883
CID 20209883
CID 20652999
CID 20652999
CID 20713449
CID 20713449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide (CID 68649442) is N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide is CCN(C)C=Nc1nc(C)nc(OC)n1.
What is the InChIKey of N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide?
The InChIKey is QVYNPHFURJCUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-5-14(3)6-10-8-11-7(2)12-9(13-8)15-4/h6H,5H2,1-4H3.
What are the key properties of N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide?
N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide has a molecular weight of 209.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide is sourced from PubChem (CID 68649442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).