7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one

C16H15FN2OS — CID 53035266

IUPAC7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O
InChIInChI=1S/C16H15FN2OS/c1-10(2)7-19-9-18-14-13(8-21-15(14)16(19)20)11-3-5-12(17)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyVPSIQWHZGUMNFH-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.92
Rot. Bonds3

About 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one

7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 53035266) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID53035266
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O
InChIInChI=1S/C16H15FN2OS/c1-10(2)7-19-9-18-14-13(8-21-15(14)16(19)20)11-3-5-12(17)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyVPSIQWHZGUMNFH-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 3310123
5-(4-Isopropyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 703939
5-(4-Ethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 724921
3-allyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 731336
2-phenyl-6,7-dihydropyrrolo[1,2-a]thieno[3,2-d]pyrimidin-9(5H)-one
CID 900065
3-butyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1566536
{[3-(3-Methylbutyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]thio}acetonitrile
CID 3244591
7-Phenyl-3-(o-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 78320479

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 53035266) is 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is CC(C)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O.
What is the InChIKey of 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VPSIQWHZGUMNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-10(2)7-19-9-18-14-13(8-21-15(14)16(19)20)11-3-5-12(17)6-4-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 302.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53035266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).