6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one

C14H19N3O2S — CID 19244967

IUPAC6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1sc2ncn(CCCN(C)C)c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-9-11-13(20-12(9)10(2)18)15-8-17(14(11)19)7-5-6-16(3)4/h8H,5-7H2,1-4H3
InChIKeyBLKLSQRVNVLMKI-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.92
Rot. Bonds5

About 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one

6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 19244967) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID19244967
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1sc2ncn(CCCN(C)C)c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-9-11-13(20-12(9)10(2)18)15-8-17(14(11)19)7-5-6-16(3)4/h8H,5-7H2,1-4H3
InChIKeyBLKLSQRVNVLMKI-UHFFFAOYSA-N
XLogP1.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19245001
6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244979
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
6-acetyl-3-(2-bromoethyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244986
6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 19244973
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
3-(2-cyanoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39159078
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23411315
3-(2-amino-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23410239
N,N,5-trimethyl-4-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 22464669
N-butan-2-yl-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23941131

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one (CID 19244967) is 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one is CC(=O)c1sc2ncn(CCCN(C)C)c(=O)c2c1C.
What is the InChIKey of 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BLKLSQRVNVLMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-11-13(20-12(9)10(2)18)15-8-17(14(11)19)7-5-6-16(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one?
6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 293.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19244967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).