4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one

C12H12N2O4 — CID 107743816

IUPAC4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one
SMILESCOc1cc(CO)ccc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C12H12N2O4/c1-17-10-4-8(6-15)2-3-9(10)18-12-5-11(16)13-7-14-12/h2-5,7,15H,6H2,1H3,(H,13,14,16)
InChIKeyFIGVTVGUOMSYPO-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.06
Rot. Bonds4

About 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one

4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one (PubChem CID 107743816) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one
PubChem CID107743816
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one
SMILESCOc1cc(CO)ccc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C12H12N2O4/c1-17-10-4-8(6-15)2-3-9(10)18-12-5-11(16)13-7-14-12/h2-5,7,15H,6H2,1H3,(H,13,14,16)
InChIKeyFIGVTVGUOMSYPO-UHFFFAOYSA-N
XLogP1.06
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
[4-(5,6-dimethylpyrazin-2-yl)oxy-3-methoxyphenyl]methanol
CID 107744072
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107744185
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-methylpyridine-4-carboxamide
CID 107743933
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585927
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-bromo-1H-pyrimidin-6-one
CID 114585934

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one (CID 107743816) is 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one is COc1cc(CO)ccc1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one?
The InChIKey is FIGVTVGUOMSYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-10-4-8(6-15)2-3-9(10)18-12-5-11(16)13-7-14-12/h2-5,7,15H,6H2,1H3,(H,13,14,16).
What are the key properties of 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one?
4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one has a molecular weight of 248.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 107743816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).