1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C13H14N4O2S — CID 168696905

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1sc2ncnc(N3CC(C(N)=O)CC3=O)c2c1C
InChIInChI=1S/C13H14N4O2S/c1-6-7(2)20-13-10(6)12(15-5-16-13)17-4-8(11(14)19)3-9(17)18/h5,8H,3-4H2,1-2H3,(H2,14,19)
InChIKeyWNRYTPPGEVHMRK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.15
Rot. Bonds2

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696905) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696905
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1sc2ncnc(N3CC(C(N)=O)CC3=O)c2c1C
InChIInChI=1S/C13H14N4O2S/c1-6-7(2)20-13-10(6)12(15-5-16-13)17-4-8(11(14)19)3-9(17)18/h5,8H,3-4H2,1-2H3,(H2,14,19)
InChIKeyWNRYTPPGEVHMRK-UHFFFAOYSA-N
XLogP1.15
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717810
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681565
(2S)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9108435
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168696905) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1sc2ncnc(N3CC(C(N)=O)CC3=O)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WNRYTPPGEVHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-6-7(2)20-13-10(6)12(15-5-16-13)17-4-8(11(14)19)3-9(17)18/h5,8H,3-4H2,1-2H3,(H2,14,19).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).