3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C14H15N3O2S — CID 1412239

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1noc(C)c1Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C14H15N3O2S/c1-7-10(4)20-13-12(7)14(18)17(6-15-13)5-11-8(2)16-19-9(11)3/h6H,5H2,1-4H3
InChIKeyNWZZBYFIMDDGGV-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.73
Rot. Bonds2

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1412239) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID1412239
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1noc(C)c1Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C14H15N3O2S/c1-7-10(4)20-13-12(7)14(18)17(6-15-13)5-11-8(2)16-19-9(11)3/h6H,5H2,1-4H3
InChIKeyNWZZBYFIMDDGGV-UHFFFAOYSA-N
XLogP2.73
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 1412239) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1noc(C)c1Cn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is NWZZBYFIMDDGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-10(4)20-13-12(7)14(18)17(6-15-13)5-11-8(2)16-19-9(11)3/h6H,5H2,1-4H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 289.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1412239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).