3-nonylthieno[3,2-d]pyrimidin-4-one

C15H22N2OS — CID 115582352

IUPAC3-nonylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCCCCCCn1cnc2ccsc2c1=O
InChIInChI=1S/C15H22N2OS/c1-2-3-4-5-6-7-8-10-17-12-16-13-9-11-19-14(13)15(17)18/h9,11-12H,2-8,10H2,1H3
InChIKeyRJRLENAQDPVRCH-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.21
Rot. Bonds8

About 3-nonylthieno[3,2-d]pyrimidin-4-one

3-nonylthieno[3,2-d]pyrimidin-4-one (PubChem CID 115582352) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-nonylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-nonylthieno[3,2-d]pyrimidin-4-one
PubChem CID115582352
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-nonylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCCCCCCn1cnc2ccsc2c1=O
InChIInChI=1S/C15H22N2OS/c1-2-3-4-5-6-7-8-10-17-12-16-13-9-11-19-14(13)15(17)18/h9,11-12H,2-8,10H2,1H3
InChIKeyRJRLENAQDPVRCH-UHFFFAOYSA-N
XLogP4.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-nonylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-nonylthieno[3,2-d]pyrimidin-4-one (CID 115582352) is 3-nonylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-nonylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-nonylthieno[3,2-d]pyrimidin-4-one is CCCCCCCCCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-nonylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is RJRLENAQDPVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-3-4-5-6-7-8-10-17-12-16-13-9-11-19-14(13)15(17)18/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 3-nonylthieno[3,2-d]pyrimidin-4-one?
3-nonylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 115582352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).