4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one

C11H11N3O2 — CID 135473111

IUPAC4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccncc2)n1
InChIInChI=1S/C11H11N3O2/c1-16-7-9-6-10(15)14-11(13-9)8-2-4-12-5-3-8/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyIFUHUEMGFBALDC-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.98
Rot. Bonds3

About 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one

4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135473111) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135473111
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccncc2)n1
InChIInChI=1S/C11H11N3O2/c1-16-7-9-6-10(15)14-11(13-9)8-2-4-12-5-3-8/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyIFUHUEMGFBALDC-UHFFFAOYSA-N
XLogP0.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 135473111) is 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2ccncc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is IFUHUEMGFBALDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-7-9-6-10(15)14-11(13-9)8-2-4-12-5-3-8/h2-6H,7H2,1H3,(H,13,14,15).
What are the key properties of 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).