5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one

C19H18FN3O3S — CID 1088936

IUPAC5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c1-12-16(13-2-4-14(20)5-3-13)17-18(27-12)21-11-23(19(17)25)10-15(24)22-6-8-26-9-7-22/h2-5,11H,6-10H2,1H3
InChIKeyVCPBZIZQQYQCAR-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.43
Rot. Bonds3

About 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 1088936) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID1088936
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c1-12-16(13-2-4-14(20)5-3-13)17-18(27-12)21-11-23(19(17)25)10-15(24)22-6-8-26-9-7-22/h2-5,11H,6-10H2,1H3
InChIKeyVCPBZIZQQYQCAR-UHFFFAOYSA-N
XLogP2.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-(4-ethoxyphenyl)-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 1194099
propan-2-yl 2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 1088942
N-cyclopentyl-2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7749205
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylphenyl)acetamide
CID 7574887
N-(4-fluorophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2792734
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40913662
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
CID 40824148
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-4-one
CID 5166999
6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-one
CID 121360089
5-methyl-6-(4-methylpiperidine-1-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 22330657
3-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 41275065
ethyl 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 7699556

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one (CID 1088936) is 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VCPBZIZQQYQCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-16(13-2-4-14(20)5-3-13)17-18(27-12)21-11-23(19(17)25)10-15(24)22-6-8-26-9-7-22/h2-5,11H,6-10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 387.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1088936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).