6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one

C7H12N2O2 — CID 54323265

IUPAC6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOCC1=CC(C)NC(=O)N1
InChIInChI=1S/C7H12N2O2/c1-5-3-6(4-11-2)9-7(10)8-5/h3,5H,4H2,1-2H3,(H2,8,9,10)
InChIKeySTDBDINYYPATPP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.22
Rot. Bonds2

About 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one

6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 54323265) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID54323265
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOCC1=CC(C)NC(=O)N1
InChIInChI=1S/C7H12N2O2/c1-5-3-6(4-11-2)9-7(10)8-5/h3,5H,4H2,1-2H3,(H2,8,9,10)
InChIKeySTDBDINYYPATPP-UHFFFAOYSA-N
XLogP0.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 54323265) is 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one is COCC1=CC(C)NC(=O)N1.
What is the InChIKey of 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is STDBDINYYPATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-3-6(4-11-2)9-7(10)8-5/h3,5H,4H2,1-2H3,(H2,8,9,10).
What are the key properties of 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-4-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 54323265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).