thieno[2,3-d]pyrimidin-5-one

C6H4N2OS — CID 140897228

IUPACthieno[2,3-d]pyrimidin-5-one
SMILESO=C1CSc2ncncc21
InChIInChI=1S/C6H4N2OS/c9-5-2-10-6-4(5)1-7-3-8-6/h1,3H,2H2
InChIKeyVLELRJIJCYMACZ-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.76
Rot. Bonds

About thieno[2,3-d]pyrimidin-5-one

thieno[2,3-d]pyrimidin-5-one (PubChem CID 140897228) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is thieno[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Namethieno[2,3-d]pyrimidin-5-one
PubChem CID140897228
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Namethieno[2,3-d]pyrimidin-5-one
SMILESO=C1CSc2ncncc21
InChIInChI=1S/C6H4N2OS/c9-5-2-10-6-4(5)1-7-3-8-6/h1,3H,2H2
InChIKeyVLELRJIJCYMACZ-UHFFFAOYSA-N
XLogP0.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methylphosphane;thieno[2,3-d]pyrimidin-5-one
CID 145128567
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
8-methyl-8λ4,9-dithia-2,4,7-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 173233981
(3Z)-3-(chloromethylidene)thiopyrano[2,3-b]pyridin-4-one
CID 58083214
6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
CID 21300280
6,11-dihydropyrimido[4,5-b][1]benzazepin-5-one
CID 70562575
8H-pyrido[4,3-d]pyrimidin-7-one
CID 67528187
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene
CID 131852954

Frequently Asked Questions

What is the IUPAC name of thieno[2,3-d]pyrimidin-5-one?
The IUPAC name of thieno[2,3-d]pyrimidin-5-one (CID 140897228) is thieno[2,3-d]pyrimidin-5-one.
What is the SMILES notation for thieno[2,3-d]pyrimidin-5-one?
The canonical SMILES for thieno[2,3-d]pyrimidin-5-one is O=C1CSc2ncncc21.
What is the InChIKey of thieno[2,3-d]pyrimidin-5-one?
The InChIKey is VLELRJIJCYMACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-5-2-10-6-4(5)1-7-3-8-6/h1,3H,2H2.
What are the key properties of thieno[2,3-d]pyrimidin-5-one?
thieno[2,3-d]pyrimidin-5-one has a molecular weight of 152.18 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 140897228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).