4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde

C19H23N5O5 — CID 1006562

IUPAC4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N5O5/c1-26-16-12-14(13-25)2-3-15(16)29-19-21-17(23-4-8-27-9-5-23)20-18(22-19)24-6-10-28-11-7-24/h2-3,12-13H,4-11H2,1H3
InChIKeyHWZBSBJMWKSKPP-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.16
Rot. Bonds6

About 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde

4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde (PubChem CID 1006562) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde
PubChem CID1006562
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N5O5/c1-26-16-12-14(13-25)2-3-15(16)29-19-21-17(23-4-8-27-9-5-23)20-18(22-19)24-6-10-28-11-7-24/h2-3,12-13H,4-11H2,1H3
InChIKeyHWZBSBJMWKSKPP-UHFFFAOYSA-N
XLogP1.16
TPSA99.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde (CID 1006562) is 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde?
The InChIKey is HWZBSBJMWKSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-26-16-12-14(13-25)2-3-15(16)29-19-21-17(23-4-8-27-9-5-23)20-18(22-19)24-6-10-28-11-7-24/h2-3,12-13H,4-11H2,1H3.
What are the key properties of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde?
4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde has a molecular weight of 401.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 1006562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).