2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C14H11FN2O3S — CID 136969257

IUPAC2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2c(F)cccc2CO)nc2ccsc12
InChIInChI=1S/C14H11FN2O3S/c15-9-3-1-2-8(6-18)12(9)20-7-11-16-10-4-5-21-13(10)14(19)17-11/h1-5,18H,6-7H2,(H,16,17,19)
InChIKeyYKTIKCBYZQOETH-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.19
Rot. Bonds4

About 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136969257) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136969257
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2c(F)cccc2CO)nc2ccsc12
InChIInChI=1S/C14H11FN2O3S/c15-9-3-1-2-8(6-18)12(9)20-7-11-16-10-4-5-21-13(10)14(19)17-11/h1-5,18H,6-7H2,(H,16,17,19)
InChIKeyYKTIKCBYZQOETH-UHFFFAOYSA-N
XLogP2.19
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methanol
CID 112613201
2-[(5-bromo-2-fluorophenoxy)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136987889
2-[[2-(aminomethyl)-4-fluorophenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136813876
2-[(2,3-difluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135981614
[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol
CID 112749411
2-[(2-bromo-6-fluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136697023
2-[(2-chlorophenyl)methylsulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135836575
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777082
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 135830204
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
CID 115956396
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-but-2-enoate
CID 135690415
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-aminopyrazine-2-carboxylate
CID 135690805

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136969257) is 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(COc2c(F)cccc2CO)nc2ccsc12.
What is the InChIKey of 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YKTIKCBYZQOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-9-3-1-2-8(6-18)12(9)20-7-11-16-10-4-5-21-13(10)14(19)17-11/h1-5,18H,6-7H2,(H,16,17,19).
What are the key properties of 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 306.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136969257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).