5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

C15H15N3OS — CID 47007200

IUPAC5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Cc1csc2nc(-c3cccnc3)[nH]c(=O)c12
InChIInChI=1S/C15H15N3OS/c1-9(2)6-11-8-20-15-12(11)14(19)17-13(18-15)10-4-3-5-16-7-10/h3-5,7-9H,6H2,1-2H3,(H,17,18,19)
InChIKeySDADRQRKHXIUHB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.25
Rot. Bonds3

About 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47007200) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47007200
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Cc1csc2nc(-c3cccnc3)[nH]c(=O)c12
InChIInChI=1S/C15H15N3OS/c1-9(2)6-11-8-20-15-12(11)14(19)17-13(18-15)10-4-3-5-16-7-10/h3-5,7-9H,6H2,1-2H3,(H,17,18,19)
InChIKeySDADRQRKHXIUHB-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47007200) is 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is CC(C)Cc1csc2nc(-c3cccnc3)[nH]c(=O)c12.
What is the InChIKey of 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SDADRQRKHXIUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(2)6-11-8-20-15-12(11)14(19)17-13(18-15)10-4-3-5-16-7-10/h3-5,7-9H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47007200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).