7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C14H16N4O2S — CID 131926417

IUPAC7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1sc2ncnc(N3CCN4C(=O)OCC4C3)c2c1C
InChIInChI=1S/C14H16N4O2S/c1-8-9(2)21-13-11(8)12(15-7-16-13)17-3-4-18-10(5-17)6-20-14(18)19/h7,10H,3-6H2,1-2H3
InChIKeyZZJPFEUVEXRYPV-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.95
Rot. Bonds1

About 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 131926417) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID131926417
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1sc2ncnc(N3CCN4C(=O)OCC4C3)c2c1C
InChIInChI=1S/C14H16N4O2S/c1-8-9(2)21-13-11(8)12(15-7-16-13)17-3-4-18-10(5-17)6-20-14(18)19/h7,10H,3-6H2,1-2H3
InChIKeyZZJPFEUVEXRYPV-UHFFFAOYSA-N
XLogP1.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
4-[4-(4-chlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 35475008
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
2-(bromomethyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 81210775
(3S,4S)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
CID 50955338
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146

Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 131926417) is 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is Cc1sc2ncnc(N3CCN4C(=O)OCC4C3)c2c1C.
What is the InChIKey of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is ZZJPFEUVEXRYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-9(2)21-13-11(8)12(15-7-16-13)17-3-4-18-10(5-17)6-20-14(18)19/h7,10H,3-6H2,1-2H3.
What are the key properties of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 304.38 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 131926417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).