3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide

C17H24N4O3S — CID 55894125

IUPAC3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C17H24N4O3S/c1-5-7-18-12(22)9-21(8-6-2)17(24)14-11(3)13-15(25-14)19-10-20(4)16(13)23/h10H,5-9H2,1-4H3,(H,18,22)
InChIKeyBVTHMZFMWNJXQU-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.68
Rot. Bonds7

About 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55894125) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55894125
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C17H24N4O3S/c1-5-7-18-12(22)9-21(8-6-2)17(24)14-11(3)13-15(25-14)19-10-20(4)16(13)23/h10H,5-9H2,1-4H3,(H,18,22)
InChIKeyBVTHMZFMWNJXQU-UHFFFAOYSA-N
XLogP1.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(3-butoxypropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 36844445
N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31236285
N-cyclohexyl-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23960515
3-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209794
N-(2-cyclohexylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53498116
N-[(2R)-3,3-dimethylbutan-2-yl]-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38623842
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31848326
N-[2-(4-chlorophenoxy)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 27163729
N,5-dimethyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 20970494
3,5-dimethyl-4-oxo-N-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 87037721
3,5-dimethyl-4-oxo-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 38569766
N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31151904

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55894125) is 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1sc2ncn(C)c(=O)c2c1C.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BVTHMZFMWNJXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-5-7-18-12(22)9-21(8-6-2)17(24)14-11(3)13-15(25-14)19-10-20(4)16(13)23/h10H,5-9H2,1-4H3,(H,18,22).
What are the key properties of 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55894125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).