5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

C16H21N5O2S — CID 120866960

IUPAC5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCNC(C)Cc1noc(CCn2cnc3sc(C)c(C)c3c2=O)n1
InChIInChI=1S/C16H21N5O2S/c1-9(17-4)7-12-19-13(23-20-12)5-6-21-8-18-15-14(16(21)22)10(2)11(3)24-15/h8-9,17H,5-7H2,1-4H3
InChIKeyHKZYWVBINVVQFT-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.85
Rot. Bonds6

About 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 120866960) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID120866960
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCNC(C)Cc1noc(CCn2cnc3sc(C)c(C)c3c2=O)n1
InChIInChI=1S/C16H21N5O2S/c1-9(17-4)7-12-19-13(23-20-12)5-6-21-8-18-15-14(16(21)22)10(2)11(3)24-15/h8-9,17H,5-7H2,1-4H3
InChIKeyHKZYWVBINVVQFT-UHFFFAOYSA-N
XLogP1.85
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]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

3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 120869269
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
N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865879
3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 154807996
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-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanehydrazide
CID 60713001
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866898
3-[(2R)-2,3-dihydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7232415
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 16618781

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 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) is 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one is CNC(C)Cc1noc(CCn2cnc3sc(C)c(C)c3c2=O)n1.
What is the InChIKey of 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HKZYWVBINVVQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-9(17-4)7-12-19-13(23-20-12)5-6-21-8-18-15-14(16(21)22)10(2)11(3)24-15/h8-9,17H,5-7H2,1-4H3.
What are the key properties of 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 120866960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).