1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one

C9H18N2O3 — CID 20720395

IUPAC1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one
SMILESCCN1CC(C)C(OC)N(CO)C1=O
InChIInChI=1S/C9H18N2O3/c1-4-10-5-7(2)8(14-3)11(6-12)9(10)13/h7-8,12H,4-6H2,1-3H3
InChIKeyOMVYNXDPXCUMFM-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.30
Rot. Bonds3

About 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one

1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one (PubChem CID 20720395) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one
PubChem CID20720395
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one
SMILESCCN1CC(C)C(OC)N(CO)C1=O
InChIInChI=1S/C9H18N2O3/c1-4-10-5-7(2)8(14-3)11(6-12)9(10)13/h7-8,12H,4-6H2,1-3H3
InChIKeyOMVYNXDPXCUMFM-UHFFFAOYSA-N
XLogP0.30
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one (CID 20720395) is 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one is CCN1CC(C)C(OC)N(CO)C1=O.
What is the InChIKey of 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one?
The InChIKey is OMVYNXDPXCUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-10-5-7(2)8(14-3)11(6-12)9(10)13/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one?
1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one has a molecular weight of 202.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(hydroxymethyl)-4-methoxy-5-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 20720395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).