5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one

C7H10N2O3 — CID 22166922

IUPAC5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(OC)c(=O)[nH]1
InChIInChI=1S/C7H10N2O3/c1-11-4-6-8-3-5(12-2)7(10)9-6/h3H,4H2,1-2H3,(H,8,9,10)
InChIKeyABLGHFNFERIOJI-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.08
Rot. Bonds3

About 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one

5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 22166922) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID22166922
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(OC)c(=O)[nH]1
InChIInChI=1S/C7H10N2O3/c1-11-4-6-8-3-5(12-2)7(10)9-6/h3H,4H2,1-2H3,(H,8,9,10)
InChIKeyABLGHFNFERIOJI-UHFFFAOYSA-N
XLogP-0.08
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 22166922) is 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1ncc(OC)c(=O)[nH]1.
What is the InChIKey of 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ABLGHFNFERIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-11-4-6-8-3-5(12-2)7(10)9-6/h3H,4H2,1-2H3,(H,8,9,10).
What are the key properties of 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one?
5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 22166922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).