3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C14H16N4O3S — CID 154807996

IUPAC3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCOCc1nnc(CCn2cnc3sc(C)c(C)c3c2=O)o1
InChIInChI=1S/C14H16N4O3S/c1-8-9(2)22-13-12(8)14(19)18(7-15-13)5-4-10-16-17-11(21-10)6-20-3/h7H,4-6H2,1-3H3
InChIKeyCIBKGWIUGGUPKQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.85
Rot. Bonds5

About 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 154807996) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID154807996
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCOCc1nnc(CCn2cnc3sc(C)c(C)c3c2=O)o1
InChIInChI=1S/C14H16N4O3S/c1-8-9(2)22-13-12(8)14(19)18(7-15-13)5-4-10-16-17-11(21-10)6-20-3/h7H,4-6H2,1-3H3
InChIKeyCIBKGWIUGGUPKQ-UHFFFAOYSA-N
XLogP1.85
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
3-(3,3-diethoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 63628612
5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one
CID 61387977
3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 136515890
5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 120866960
5,6-dimethyl-3-[4-(4-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 7731373
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanehydrazide
CID 60713001
3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245053
methyl 4-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyloxy]benzoate
CID 16616473
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 9353654

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 154807996) is 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is COCc1nnc(CCn2cnc3sc(C)c(C)c3c2=O)o1.
What is the InChIKey of 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CIBKGWIUGGUPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-9(2)22-13-12(8)14(19)18(7-15-13)5-4-10-16-17-11(21-10)6-20-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 320.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 154807996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).