2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

C14H15N3OS — CID 2997594

IUPAC2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCN(C)C1NC(=O)c2cc(-c3ccccc3)sc2N1
InChIInChI=1S/C14H15N3OS/c1-17(2)14-15-12(18)10-8-11(19-13(10)16-14)9-6-4-3-5-7-9/h3-8,14,16H,1-2H3,(H,15,18)
InChIKeyJVLNSNWFBDELBU-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.42
Rot. Bonds2

About 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2997594) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2997594
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCN(C)C1NC(=O)c2cc(-c3ccccc3)sc2N1
InChIInChI=1S/C14H15N3OS/c1-17(2)14-15-12(18)10-8-11(19-13(10)16-14)9-6-4-3-5-7-9/h3-8,14,16H,1-2H3,(H,15,18)
InChIKeyJVLNSNWFBDELBU-UHFFFAOYSA-N
XLogP2.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 2997594) is 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is CN(C)C1NC(=O)c2cc(-c3ccccc3)sc2N1.
What is the InChIKey of 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JVLNSNWFBDELBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17(2)14-15-12(18)10-8-11(19-13(10)16-14)9-6-4-3-5-7-9/h3-8,14,16H,1-2H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2997594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).