N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide

C20H31N5O3S — CID 3239365

IUPACN-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide
SMILESCCN(CC)CCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C20H31N5O3S/c1-5-24(6-2)11-10-22-16(26)8-7-9-21-17(27)12-25-13-23-19-18(20(25)28)14(3)15(4)29-19/h13H,5-12H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyODBFPMJZUSYNSZ-UHFFFAOYSA-N
MW421.57 g/mol
LogP1.43
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide

N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide (PubChem CID 3239365) has the molecular formula C20H31N5O3S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide
PubChem CID3239365
Molecular FormulaC20H31N5O3S
Molecular Weight421.57 g/mol
Exact Mass421.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide
SMILESCCN(CC)CCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C20H31N5O3S/c1-5-24(6-2)11-10-22-16(26)8-7-9-21-17(27)12-25-13-23-19-18(20(25)28)14(3)15(4)29-19/h13H,5-12H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyODBFPMJZUSYNSZ-UHFFFAOYSA-N
XLogP1.43
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide 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

5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 403053
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
5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2409212
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
2-[(4-Hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
CID 829354
2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1157122
N-allyl-2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2131481
N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 733723
ethyl 4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylate
CID 2816654
3-Ethyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 800379
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid
CID 646263

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide (CID 3239365) is N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide is CCN(CC)CCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide?
The InChIKey is ODBFPMJZUSYNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3S/c1-5-24(6-2)11-10-22-16(26)8-7-9-21-17(27)12-25-13-23-19-18(20(25)28)14(3)15(4)29-19/h13H,5-12H2,1-4H3,(H,21,27)(H,22,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide?
N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide has a molecular weight of 421.57 g/mol, XLogP of 1.43, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanamide is sourced from PubChem (CID 3239365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).