3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

C14H25N5O4 — CID 15309375

IUPAC3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)N(CN2CCOCC2)CN(CN2CCOCC2)C1=O
InChIInChI=1S/C14H25N5O4/c1-15-13(20)18(10-16-2-6-22-7-3-16)12-19(14(15)21)11-17-4-8-23-9-5-17/h2-12H2,1H3
InChIKeyJGUXXOCBELKSEM-UHFFFAOYSA-N
MW327.39 g/mol
LogP-0.69
Rot. Bonds4

About 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 15309375) has the molecular formula C14H25N5O4 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
PubChem CID15309375
Molecular FormulaC14H25N5O4
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)N(CN2CCOCC2)CN(CN2CCOCC2)C1=O
InChIInChI=1S/C14H25N5O4/c1-15-13(20)18(10-16-2-6-22-7-3-16)12-19(14(15)21)11-17-4-8-23-9-5-17/h2-12H2,1H3
InChIKeyJGUXXOCBELKSEM-UHFFFAOYSA-N
XLogP-0.69
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(Morpholine-4-carbonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1326822
1-(Morpholin-4-ylmethyl)-3-(morpholin-4-ylmethylcarbamoyl)urea
CID 271896
2(1H)-Pyrimidinone, tetrahydro-1,3-bis(4-morpholinylmethyl)-
CID 567997
1,5-Bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
CID 5325331
3-(2-Methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
CID 5325332
1,3,5-Tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
CID 15309365
1-(Morpholin-4-ylmethyl)-1,3,5-triazaperhydroine-2,4,6-trione
CID 5191054
1-Methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea
CID 54237580
1,1-Bis(1-morpholin-4-ylethyl)urea
CID 57320599
[Bis(morpholine-4-carbonyl)amino] morpholine-4-carboxylate
CID 57981078
N-methyl-N-(morpholine-4-carbonyl)morpholine-4-carboxamide
CID 59684282
4-Methylmorpholine;4-(morpholin-4-ylmethyl)morpholine
CID 91221000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (CID 15309375) is 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is CN1C(=O)N(CN2CCOCC2)CN(CN2CCOCC2)C1=O.
What is the InChIKey of 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is JGUXXOCBELKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O4/c1-15-13(20)18(10-16-2-6-22-7-3-16)12-19(14(15)21)11-17-4-8-23-9-5-17/h2-12H2,1H3.
What are the key properties of 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 327.39 g/mol, XLogP of -0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 15309375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).