5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C14H17N3O2S — CID 2409212

IUPAC5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CC(=O)N3CCCC3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H17N3O2S/c1-8-9(2)20-14-12(8)13(19)15-10(16-14)7-11(18)17-5-3-4-6-17/h3-7H2,1-2H3,(H,15,16,19)
InChIKeyYTJFFKTXKSMKPD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.77
Rot. Bonds2

About 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2409212) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2409212
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CC(=O)N3CCCC3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H17N3O2S/c1-8-9(2)20-14-12(8)13(19)15-10(16-14)7-11(18)17-5-3-4-6-17/h3-7H2,1-2H3,(H,15,16,19)
InChIKeyYTJFFKTXKSMKPD-UHFFFAOYSA-N
XLogP1.77
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,6,7,8,9-hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-one
CID 733165
5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 403053
1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one
CID 621392
2,5,6-trimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 857577
N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
CID 1453222
4-methyl-2-oxo-N-pentan-2-yl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 4885208
N,N-dimethyl-N'-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)imidoformamide
CID 9632285
1,2,3,5,6,7-Hexahydro-9-thia-4a,8-diaza-cyclopenta[a]-s-indacen-4-one
CID 615939
2-[(4-Hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
CID 829354
N-allyl-2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2131481
2-[(3-butyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetamide
CID 2058905
3-Ethyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 800379

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 2409212) is 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(CC(=O)N3CCCC3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YTJFFKTXKSMKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-9(2)20-14-12(8)13(19)15-10(16-14)7-11(18)17-5-3-4-6-17/h3-7H2,1-2H3,(H,15,16,19).
What are the key properties of 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 291.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2409212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).