propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate

C14H18N2O3S — CID 2791262

IUPACpropyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
SMILESCCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C14H18N2O3S/c1-5-6-19-14(18)9(3)16-7-15-12-11(13(16)17)8(2)10(4)20-12/h7,9H,5-6H2,1-4H3
InChIKeyJTQSEZVERMWLDZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.59
Rot. Bonds4

About propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate

propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate (PubChem CID 2791262) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate.

Molecular Properties

Compound Namepropyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
PubChem CID2791262
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namepropyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
SMILESCCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C14H18N2O3S/c1-5-6-19-14(18)9(3)16-7-15-12-11(13(16)17)8(2)10(4)20-12/h7,9H,5-6H2,1-4H3
InChIKeyJTQSEZVERMWLDZ-UHFFFAOYSA-N
XLogP2.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylate
CID 2816749
5,6-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 674097
ethyl 2-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3-yl)acetate
CID 801055
Ethyl 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 704289
Ethyl 5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxylate
CID 3236101
ethyl 4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylate
CID 2816654
3-Ethyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 800379
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid
CID 646263
ethyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetate
CID 341388
Propan-2-yl 2-(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 734355
(4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetic acid methyl ester
CID 772904
(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl acetate
CID 852982

Frequently Asked Questions

What is the IUPAC name of propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate?
The IUPAC name of propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate (CID 2791262) is propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate.
What is the SMILES notation for propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate?
The canonical SMILES for propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate is CCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate?
The InChIKey is JTQSEZVERMWLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-6-19-14(18)9(3)16-7-15-12-11(13(16)17)8(2)10(4)20-12/h7,9H,5-6H2,1-4H3.
What are the key properties of propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate?
propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate has a molecular weight of 294.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate is sourced from PubChem (CID 2791262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).