1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione

C13H15N3O3S — CID 42589959

IUPAC1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCCC3)sc2n(C)c1=O
InChIInChI=1S/C13H15N3O3S/c1-14-10(17)8-7-9(11(18)16-5-3-4-6-16)20-12(8)15(2)13(14)19/h7H,3-6H2,1-2H3
InChIKeyWMHRGRCLQHKNSA-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.53
Rot. Bonds1

About 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 42589959) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID42589959
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCCC3)sc2n(C)c1=O
InChIInChI=1S/C13H15N3O3S/c1-14-10(17)8-7-9(11(18)16-5-3-4-6-16)20-12(8)15(2)13(14)19/h7H,3-6H2,1-2H3
InChIKeyWMHRGRCLQHKNSA-UHFFFAOYSA-N
XLogP0.53
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 42589959) is 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(C(=O)N3CCCC3)sc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WMHRGRCLQHKNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-14-10(17)8-7-9(11(18)16-5-3-4-6-16)20-12(8)15(2)13(14)19/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 293.35 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42589959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).