2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one

C13H17ClN2OS — CID 11033415

IUPAC2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCc1nc2sc(Cl)cc2c(=O)n1CCC
InChIInChI=1S/C13H17ClN2OS/c1-3-5-6-11-15-12-9(8-10(14)18-12)13(17)16(11)7-4-2/h8H,3-7H2,1-2H3
InChIKeyJCAWJAGCULLMRW-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.86
Rot. Bonds5

About 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one

2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 11033415) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID11033415
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCc1nc2sc(Cl)cc2c(=O)n1CCC
InChIInChI=1S/C13H17ClN2OS/c1-3-5-6-11-15-12-9(8-10(14)18-12)13(17)16(11)7-4-2/h8H,3-7H2,1-2H3
InChIKeyJCAWJAGCULLMRW-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one (CID 11033415) is 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one is CCCCc1nc2sc(Cl)cc2c(=O)n1CCC.
What is the InChIKey of 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JCAWJAGCULLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-3-5-6-11-15-12-9(8-10(14)18-12)13(17)16(11)7-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one?
2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 284.81 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-chloro-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11033415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).