3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one

C15H15N3OS — CID 62563244

IUPAC3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCCNc1ccccc1
InChIInChI=1S/C15H15N3OS/c19-15-14-13(7-10-20-14)17-11-18(15)9-4-8-16-12-5-2-1-3-6-12/h1-3,5-7,10-11,16H,4,8-9H2
InChIKeyJLAWJSBOAWVRTL-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.96
Rot. Bonds5

About 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one

3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 62563244) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID62563244
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCCNc1ccccc1
InChIInChI=1S/C15H15N3OS/c19-15-14-13(7-10-20-14)17-11-18(15)9-4-8-16-12-5-2-1-3-6-12/h1-3,5-7,10-11,16H,4,8-9H2
InChIKeyJLAWJSBOAWVRTL-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one (CID 62563244) is 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCCNc1ccccc1.
What is the InChIKey of 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JLAWJSBOAWVRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-15-14-13(7-10-20-14)17-11-18(15)9-4-8-16-12-5-2-1-3-6-12/h1-3,5-7,10-11,16H,4,8-9H2.
What are the key properties of 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one?
3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 62563244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).