5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one

C8H16N2O4 — CID 22961548

IUPAC5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one
SMILESCOCN1CC(O)CN(COC)C1=O
InChIInChI=1S/C8H16N2O4/c1-13-5-9-3-7(11)4-10(6-14-2)8(9)12/h7,11H,3-6H2,1-2H3
InChIKeyZFELQUOLGPARBA-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.71
Rot. Bonds4

About 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one

5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one (PubChem CID 22961548) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one
PubChem CID22961548
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one
SMILESCOCN1CC(O)CN(COC)C1=O
InChIInChI=1S/C8H16N2O4/c1-13-5-9-3-7(11)4-10(6-14-2)8(9)12/h7,11H,3-6H2,1-2H3
InChIKeyZFELQUOLGPARBA-UHFFFAOYSA-N
XLogP-0.71
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tris(N-hydroxypropyl) hexahydrotriazine
CID 91360
Tetrahydro-5-hydroxy-1,3-bis(hydroxymethyl)-1H-pyrimidin-2-one
CID 83365
1,3,5-Tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 4110217
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxypropyl)-
CID 11120211
1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol, alpha1,alpha3-dimethyl-
CID 109436
1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol, alpha-methyl-
CID 109437
2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-
CID 114561
1-(5-Hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one
CID 10656260
1-(3-Acetyl-5-hydroxy-1,3-diazinan-1-yl)ethanone
CID 10845230
1-(3-Fluoro-2-hydroxypropyl)-3-methyl-1,3-diazinan-2-one
CID 165600793
5-(2-Hydroxyethyl)-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one
CID 73893398
1,3,5-Tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 4278551

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one (CID 22961548) is 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one is COCN1CC(O)CN(COC)C1=O.
What is the InChIKey of 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
The InChIKey is ZFELQUOLGPARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-13-5-9-3-7(11)4-10(6-14-2)8(9)12/h7,11H,3-6H2,1-2H3.
What are the key properties of 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one has a molecular weight of 204.23 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 22961548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).