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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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).