7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C19H13F2N3O2S — CID 137429721

IUPAC7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(OC(F)F)ccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C19H13F2N3O2S/c1-10-8-11(26-19(20)21)5-6-12(10)13-9-27-16-15(13)23-17(24-18(16)25)14-4-2-3-7-22-14/h2-9,19H,1H3,(H,23,24,25)
InChIKeyZFSTUVBRBVHZCA-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.62
Rot. Bonds4

About 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429721) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429721
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(OC(F)F)ccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C19H13F2N3O2S/c1-10-8-11(26-19(20)21)5-6-12(10)13-9-27-16-15(13)23-17(24-18(16)25)14-4-2-3-7-22-14/h2-9,19H,1H3,(H,23,24,25)
InChIKeyZFSTUVBRBVHZCA-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429721) is 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cc(OC(F)F)ccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZFSTUVBRBVHZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c1-10-8-11(26-19(20)21)5-6-12(10)13-9-27-16-15(13)23-17(24-18(16)25)14-4-2-3-7-22-14/h2-9,19H,1H3,(H,23,24,25).
What are the key properties of 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 385.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethoxy)-2-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).