7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one

C17H18N2OS — CID 53035230

IUPAC7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one
SMILESCCCn1cnc2c(-c3cc(C)ccc3C)csc2c1=O
InChIInChI=1S/C17H18N2OS/c1-4-7-19-10-18-15-14(9-21-16(15)17(19)20)13-8-11(2)5-6-12(13)3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyMUSWVYILUIYQIC-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.15
Rot. Bonds3

About 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one

7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one (PubChem CID 53035230) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one
PubChem CID53035230
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one
SMILESCCCn1cnc2c(-c3cc(C)ccc3C)csc2c1=O
InChIInChI=1S/C17H18N2OS/c1-4-7-19-10-18-15-14(9-21-16(15)17(19)20)13-8-11(2)5-6-12(13)3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyMUSWVYILUIYQIC-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 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one (CID 53035230) is 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one is CCCn1cnc2c(-c3cc(C)ccc3C)csc2c1=O.
What is the InChIKey of 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is MUSWVYILUIYQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-4-7-19-10-18-15-14(9-21-16(15)17(19)20)13-8-11(2)5-6-12(13)3/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one?
7-(2,5-dimethylphenyl)-3-propylthieno[3,2-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 7-(2,5-dimethylphenyl)-3-propylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53035230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).