6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

C18H13N3OS — CID 852962

IUPAC6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3cccnc3)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C18H13N3OS/c1-11-14(12-6-3-2-4-7-12)15-17(22)20-16(21-18(15)23-11)13-8-5-9-19-10-13/h2-10H,1H3,(H,20,21,22)
InChIKeyDWSZFPQPFNDSKK-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.02
Rot. Bonds2

About 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 852962) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID852962
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3cccnc3)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C18H13N3OS/c1-11-14(12-6-3-2-4-7-12)15-17(22)20-16(21-18(15)23-11)13-8-5-9-19-10-13/h2-10H,1H3,(H,20,21,22)
InChIKeyDWSZFPQPFNDSKK-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 852962) is 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3cccnc3)[nH]c(=O)c2c1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DWSZFPQPFNDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-11-14(12-6-3-2-4-7-12)15-17(22)20-16(21-18(15)23-11)13-8-5-9-19-10-13/h2-10H,1H3,(H,20,21,22).
What are the key properties of 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 319.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 852962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).