4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride

C10H17ClN4O3 — CID 87303080

IUPAC4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride
SMILESCOc1nc(C[NH+]2CCOCC2)nc(OC)n1.[Cl-]
InChIInChI=1S/C10H16N4O3.ClH/c1-15-9-11-8(12-10(13-9)16-2)7-14-3-5-17-6-4-14;/h3-7H2,1-2H3;1H
InChIKeyAVVLVCYNVBXDSH-UHFFFAOYSA-N
MW276.72 g/mol
LogP-4.69
Rot. Bonds4

About 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride (PubChem CID 87303080) has the molecular formula C10H17ClN4O3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride.

Molecular Properties

Compound Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride
PubChem CID87303080
Molecular FormulaC10H17ClN4O3
Molecular Weight276.72 g/mol
Exact Mass276.10
IUPAC Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride
SMILESCOc1nc(C[NH+]2CCOCC2)nc(OC)n1.[Cl-]
InChIInChI=1S/C10H16N4O3.ClH/c1-15-9-11-8(12-10(13-9)16-2)7-14-3-5-17-6-4-14;/h3-7H2,1-2H3;1H
InChIKeyAVVLVCYNVBXDSH-UHFFFAOYSA-N
XLogP-4.69
TPSA70.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 5-4.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride?
The IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride (CID 87303080) is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride.
What is the SMILES notation for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride?
The canonical SMILES for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride is COc1nc(C[NH+]2CCOCC2)nc(OC)n1.[Cl-].
What is the InChIKey of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride?
The InChIKey is AVVLVCYNVBXDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3.ClH/c1-15-9-11-8(12-10(13-9)16-2)7-14-3-5-17-6-4-14;/h3-7H2,1-2H3;1H.
What are the key properties of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride?
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride has a molecular weight of 276.72 g/mol, XLogP of -4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride is sourced from PubChem (CID 87303080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).