1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione

C19H17N5O3S — CID 154744825

IUPAC1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(-c3nc(C4(c5ccncc5)CCC4)no3)sc2n(C)c1=O
InChIInChI=1S/C19H17N5O3S/c1-23-15(25)12-10-13(28-16(12)24(2)18(23)26)14-21-17(22-27-14)19(6-3-7-19)11-4-8-20-9-5-11/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyURBCYYOQDMDCAT-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.21
Rot. Bonds3

About 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 154744825) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID154744825
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(-c3nc(C4(c5ccncc5)CCC4)no3)sc2n(C)c1=O
InChIInChI=1S/C19H17N5O3S/c1-23-15(25)12-10-13(28-16(12)24(2)18(23)26)14-21-17(22-27-14)19(6-3-7-19)11-4-8-20-9-5-11/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyURBCYYOQDMDCAT-UHFFFAOYSA-N
XLogP2.21
TPSA95.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 154742790
5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154746852
5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154744719
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63080018
5-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 138005536
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120853321
1-[5-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864083
1-[5-(2-pyridin-4-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862345
1-[5-(5-pyridin-4-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864199
1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858819
5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154742824
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione (CID 154744825) is 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(-c3nc(C4(c5ccncc5)CCC4)no3)sc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is URBCYYOQDMDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-23-15(25)12-10-13(28-16(12)24(2)18(23)26)14-21-17(22-27-14)19(6-3-7-19)11-4-8-20-9-5-11/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 395.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 154744825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).