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

C17H18N2OS — CID 2792005

IUPAC5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O
InChIInChI=1S/C17H18N2OS/c1-4-7-19-10-18-16-15(17(19)20)14(9-21-16)13-6-5-11(2)12(3)8-13/h5-6,8-10H,4,7H2,1-3H3
InChIKeyXRKKZGPAKPYCFX-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.15
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 2792005) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID2792005
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O
InChIInChI=1S/C17H18N2OS/c1-4-7-19-10-18-16-15(17(19)20)14(9-21-16)13-6-5-11(2)12(3)8-13/h5-6,8-10H,4,7H2,1-3H3
InChIKeyXRKKZGPAKPYCFX-UHFFFAOYSA-N
XLogP4.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one (CID 2792005) is 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is XRKKZGPAKPYCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-4-7-19-10-18-16-15(17(19)20)14(9-21-16)13-6-5-11(2)12(3)8-13/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2792005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).