4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide

C10H16N6O3 — CID 79676627

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2nc(OC)nc(OC)n2)CCO1
InChIInChI=1S/C10H16N6O3/c1-17-9-13-8(14-10(15-9)18-2)16-3-4-19-6(5-16)7(11)12/h6H,3-5H2,1-2H3,(H3,11,12)
InChIKeyGBWLYRBAVXDGME-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.97
Rot. Bonds4

About 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide (PubChem CID 79676627) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide
PubChem CID79676627
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2nc(OC)nc(OC)n2)CCO1
InChIInChI=1S/C10H16N6O3/c1-17-9-13-8(14-10(15-9)18-2)16-3-4-19-6(5-16)7(11)12/h6H,3-5H2,1-2H3,(H3,11,12)
InChIKeyGBWLYRBAVXDGME-UHFFFAOYSA-N
XLogP-0.97
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79676340
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
4-quinazolin-2-ylmorpholine-2-carboximidamide
CID 114788809
4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide
CID 79676825
4-methylmorpholine-2-carboximidamide
CID 75481075
4-pyridin-2-ylmorpholine-2-carboximidamide
CID 79676161
4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide
CID 79727211
4-(1-methylimidazo[4,5-c]pyridin-4-yl)morpholine-2-carboximidamide
CID 103385326
4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide
CID 79675597
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide
CID 79675492
4-butylmorpholine-2-carboximidamide
CID 79680820

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide (CID 79676627) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(c2nc(OC)nc(OC)n2)CCO1.
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide?
The InChIKey is GBWLYRBAVXDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-17-9-13-8(14-10(15-9)18-2)16-3-4-19-6(5-16)7(11)12/h6H,3-5H2,1-2H3,(H3,11,12).
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide has a molecular weight of 268.28 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 79676627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).