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

C6H8N2O2 — CID 14306129

IUPAC2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nccc(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-10-4-5-7-3-2-6(9)8-5/h2-3H,4H2,1H3,(H,7,8,9)
InChIKeyBWTHMJYOWBVUDA-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.08
Rot. Bonds2

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

2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 14306129) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID14306129
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nccc(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-10-4-5-7-3-2-6(9)8-5/h2-3H,4H2,1H3,(H,7,8,9)
InChIKeyBWTHMJYOWBVUDA-UHFFFAOYSA-N
XLogP-0.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(methoxymethyl)-1H-pyrimidin-6-one (CID 14306129) is 2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nccc(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is BWTHMJYOWBVUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-4-5-7-3-2-6(9)8-5/h2-3H,4H2,1H3,(H,7,8,9).
What are the key properties of 2-(methoxymethyl)-1H-pyrimidin-6-one?
2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 14306129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).