5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one

C16H16N2O2S — CID 709188

IUPAC5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O
InChIInChI=1S/C16H16N2O2S/c1-3-8-18-10-17-15-14(16(18)19)13(9-21-15)11-4-6-12(20-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyBSXIKRNAPJEFID-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.54
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one

5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 709188) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID709188
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O
InChIInChI=1S/C16H16N2O2S/c1-3-8-18-10-17-15-14(16(18)19)13(9-21-15)11-4-6-12(20-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyBSXIKRNAPJEFID-UHFFFAOYSA-N
XLogP3.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727650
6-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135421655
5-(benzamidomethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652191
5-(benzylsulfanylmethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652211
2-(4-methoxyphenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 951414
3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 6874813
3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]-propylsulfanyl}-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 10504100
3-Allyl-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 709192
5-(3,4-Dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(1H)-one
CID 733738
3-(4-Ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 916362
5-(4-Ethoxyphenyl)-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 1082736
[5-(4-Methoxy-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid propyl ester
CID 1569092

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one (CID 709188) is 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O.
What is the InChIKey of 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BSXIKRNAPJEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-8-18-10-17-15-14(16(18)19)13(9-21-15)11-4-6-12(20-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 709188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).