1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

C12H17N3O3S — CID 91129020

IUPAC1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCC(CN(C)C)OC(=O)c1cc2c(s1)NCNC2=O
InChIInChI=1S/C12H17N3O3S/c1-7(5-15(2)3)18-12(17)9-4-8-10(16)13-6-14-11(8)19-9/h4,7,14H,5-6H2,1-3H3,(H,13,16)
InChIKeyRDVWAFCLVGHFTN-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.97
Rot. Bonds4

About 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91129020) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID91129020
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCC(CN(C)C)OC(=O)c1cc2c(s1)NCNC2=O
InChIInChI=1S/C12H17N3O3S/c1-7(5-15(2)3)18-12(17)9-4-8-10(16)13-6-14-11(8)19-9/h4,7,14H,5-6H2,1-3H3,(H,13,16)
InChIKeyRDVWAFCLVGHFTN-UHFFFAOYSA-N
XLogP0.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 91129020) is 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate is CC(CN(C)C)OC(=O)c1cc2c(s1)NCNC2=O.
What is the InChIKey of 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RDVWAFCLVGHFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7(5-15(2)3)18-12(17)9-4-8-10(16)13-6-14-11(8)19-9/h4,7,14H,5-6H2,1-3H3,(H,13,16).
What are the key properties of 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91129020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).