1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

C15H17N3O3S — CID 24757308

IUPAC1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2ncco2)sc2c1c(=O)n(CC(C)C)c(=O)n2C
InChIInChI=1S/C15H17N3O3S/c1-8(2)7-18-13(19)10-9(3)11(12-16-5-6-21-12)22-14(10)17(4)15(18)20/h5-6,8H,7H2,1-4H3
InChIKeyAYIMIOWWJQTGRR-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.38
Rot. Bonds3

About 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 24757308) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID24757308
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2ncco2)sc2c1c(=O)n(CC(C)C)c(=O)n2C
InChIInChI=1S/C15H17N3O3S/c1-8(2)7-18-13(19)10-9(3)11(12-16-5-6-21-12)22-14(10)17(4)15(18)20/h5-6,8H,7H2,1-4H3
InChIKeyAYIMIOWWJQTGRR-UHFFFAOYSA-N
XLogP2.38
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 24757308) is 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is Cc1c(-c2ncco2)sc2c1c(=O)n(CC(C)C)c(=O)n2C.
What is the InChIKey of 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AYIMIOWWJQTGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-8(2)7-18-13(19)10-9(3)11(12-16-5-6-21-12)22-14(10)17(4)15(18)20/h5-6,8H,7H2,1-4H3.
What are the key properties of 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 319.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 24757308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).