2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C14H12FN3O2S — CID 115371692

IUPAC2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(COc3ccc(F)nc3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H12FN3O2S/c1-7-8(2)21-14-12(7)13(19)17-11(18-14)6-20-9-3-4-10(15)16-5-9/h3-5H,6H2,1-2H3,(H,17,18,19)
InChIKeyGVZIZRNUFGHRQF-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.71
Rot. Bonds3

About 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 115371692) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID115371692
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(COc3ccc(F)nc3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H12FN3O2S/c1-7-8(2)21-14-12(7)13(19)17-11(18-14)6-20-9-3-4-10(15)16-5-9/h3-5H,6H2,1-2H3,(H,17,18,19)
InChIKeyGVZIZRNUFGHRQF-UHFFFAOYSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 43235249
2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24522771
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019420
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-hydroxybenzoate
CID 2394285
2-[(2-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 16571571
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 16571305
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-aminoacetate
CID 71305221
N'-[2-(4-chlorophenoxy)acetyl]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetohydrazide
CID 4808802
2-[(4-chlorophenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890246
2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7250320
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7826447
5,6-dimethyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 62054161

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 115371692) is 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(COc3ccc(F)nc3)[nH]c(=O)c2c1C.
What is the InChIKey of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GVZIZRNUFGHRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-7-8(2)21-14-12(7)13(19)17-11(18-14)6-20-9-3-4-10(15)16-5-9/h3-5H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 115371692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).