4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one

C8H12N4O3 — CID 12026137

IUPAC4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one
SMILESCOc1nc(N2CCOCC2)[nH]c(=O)n1
InChIInChI=1S/C8H12N4O3/c1-14-8-10-6(9-7(13)11-8)12-2-4-15-5-3-12/h2-5H2,1H3,(H,9,10,11,13)
InChIKeyXFPBTFUSCSZBFW-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.99
Rot. Bonds2

About 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one

4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one (PubChem CID 12026137) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one
PubChem CID12026137
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one
SMILESCOc1nc(N2CCOCC2)[nH]c(=O)n1
InChIInChI=1S/C8H12N4O3/c1-14-8-10-6(9-7(13)11-8)12-2-4-15-5-3-12/h2-5H2,1H3,(H,9,10,11,13)
InChIKeyXFPBTFUSCSZBFW-UHFFFAOYSA-N
XLogP-0.99
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimorpholin-4-yl-1,3,5-triazin-2-ol
CID 135459616
6-morpholin-4-yl-1H-1,3,5-triazin-2-one
CID 729336
Morpholine-4-carboximidoylurea
CID 138962985
4-(2,6-dimethoxy-3-methyl-2H-1,3,5-triazin-4-yl)morpholine
CID 90931072
2-Mercapto-4-methoxy-6-morpholino-1,3,5-triazin
CID 129629590
6-(ethylamino)-4-morpholin-4-yl-1H-1,3,5-triazin-2-one
CID 136291327
4-(6-Amino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
CID 135570689
(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea
CID 11077383
6-Morpholin-4-yl-1,3,5-triazine-2,4-diol
CID 5151376
1-(Diaminomethylidene)-3-(morpholin-4-ylmethyl)urea
CID 20436704
[N'-(2-morpholin-4-ylethyl)carbamimidoyl]urea
CID 21414777
4-Amino-1-[(3-methylmorpholin-4-yl)methyl]-1,3,5-triazin-2-one
CID 57071115

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one (CID 12026137) is 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one is COc1nc(N2CCOCC2)[nH]c(=O)n1.
What is the InChIKey of 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
The InChIKey is XFPBTFUSCSZBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-14-8-10-6(9-7(13)11-8)12-2-4-15-5-3-12/h2-5H2,1H3,(H,9,10,11,13).
What are the key properties of 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one?
4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one has a molecular weight of 212.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 12026137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).