2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

C14H13BrN2OS — CID 3117385

IUPAC2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1ccc(Br)cc1)N2
InChIInChI=1S/C14H13BrN2OS/c1-7-8(2)19-14-11(7)13(18)16-12(17-14)9-3-5-10(15)6-4-9/h3-6,12,17H,1-2H3,(H,16,18)
InChIKeyUXCMFRLBILOIQQ-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.98
Rot. Bonds1

About 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 3117385) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID3117385
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1ccc(Br)cc1)N2
InChIInChI=1S/C14H13BrN2OS/c1-7-8(2)19-14-11(7)13(18)16-12(17-14)9-3-5-10(15)6-4-9/h3-6,12,17H,1-2H3,(H,16,18)
InChIKeyUXCMFRLBILOIQQ-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 3117385) is 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2c(c1C)C(=O)NC(c1ccc(Br)cc1)N2.
What is the InChIKey of 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UXCMFRLBILOIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-7-8(2)19-14-11(7)13(18)16-12(17-14)9-3-5-10(15)6-4-9/h3-6,12,17H,1-2H3,(H,16,18).
What are the key properties of 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 337.24 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3117385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).