5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

C13H13N3OS — CID 5149967

IUPAC5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1cccnc1)N2
InChIInChI=1S/C13H13N3OS/c1-7-8(2)18-13-10(7)12(17)15-11(16-13)9-4-3-5-14-6-9/h3-6,11,16H,1-2H3,(H,15,17)
InChIKeyYWKOTCWEZFBNFF-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.61
Rot. Bonds1

About 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 5149967) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID5149967
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1cccnc1)N2
InChIInChI=1S/C13H13N3OS/c1-7-8(2)18-13-10(7)12(17)15-11(16-13)9-4-3-5-14-6-9/h3-6,11,16H,1-2H3,(H,15,17)
InChIKeyYWKOTCWEZFBNFF-UHFFFAOYSA-N
XLogP2.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10S)-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
CID 937183
(2R,7S)-7-methyl-2-pyridin-3-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7106682
(2S,7R)-7-tert-butyl-2-pyridin-3-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2034460
(5S)-11-methyl-5-pyridin-3-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 948448
(5S)-12,12-dimethyl-5-pyridin-3-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 935799
ethyl (5R)-3-oxo-5-pyridin-3-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
CID 7106047
(5R)-11-benzyl-5-pyridin-3-yl-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 7106660
2-(2-hydroxy-3-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 23823516
2-(3-ethoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 23763634
6-methyl-4-phenyl-12-pyridin-3-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-10-one
CID 4677504
4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole
CID 118964149
(2S)-2-pyridin-4-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 719667

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 5149967) is 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2c(c1C)C(=O)NC(c1cccnc1)N2.
What is the InChIKey of 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YWKOTCWEZFBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-8(2)18-13-10(7)12(17)15-11(16-13)9-4-3-5-14-6-9/h3-6,11,16H,1-2H3,(H,15,17).
What are the key properties of 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 259.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5149967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).