3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide

C12H16N4O3S — CID 82342030

IUPAC3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(N)Cn1c(=O)[nH]c2sc(C(N)=O)c(C)c2c1=O
InChIInChI=1S/C12H16N4O3S/c1-3-6(13)4-16-11(18)7-5(2)8(9(14)17)20-10(7)15-12(16)19/h6H,3-4,13H2,1-2H3,(H2,14,17)(H,15,19)
InChIKeyRFZVKNMOJYGOPK-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.10
Rot. Bonds4

About 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide

3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 82342030) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID82342030
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(N)Cn1c(=O)[nH]c2sc(C(N)=O)c(C)c2c1=O
InChIInChI=1S/C12H16N4O3S/c1-3-6(13)4-16-11(18)7-5(2)8(9(14)17)20-10(7)15-12(16)19/h6H,3-4,13H2,1-2H3,(H2,14,17)(H,15,19)
InChIKeyRFZVKNMOJYGOPK-UHFFFAOYSA-N
XLogP-0.10
TPSA123.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide 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

ethyl 5-(difluoromethyl)-3-ethyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 118011094
ethyl 2-(5-methyl-2,4-dioxo-6-phenyl-1H-thieno[2,3-d]pyrimidin-3-yl)acetate
CID 10665129
ethyl 2-(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
CID 20997989
3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one
CID 82168037
5-methyl-4-oxo-2-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868088
tert-butyl 5-methyl-2,4-dioxo-3-(2-pyridin-3-ylethyl)-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 118016369
5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342085
8-benzyl-5-methyl-7-oxo-12-phenyl-3-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraene-4-carboxamide
CID 71485591
4-(6-carbamoyl-5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896510
3-[(4-aminophenyl)methyl]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342137
2-(2-bromoethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 93213436
ethyl 2-(3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl)acetate
CID 10542966

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 82342030) is 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide is CCC(N)Cn1c(=O)[nH]c2sc(C(N)=O)c(C)c2c1=O.
What is the InChIKey of 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RFZVKNMOJYGOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-6(13)4-16-11(18)7-5(2)8(9(14)17)20-10(7)15-12(16)19/h6H,3-4,13H2,1-2H3,(H2,14,17)(H,15,19).
What are the key properties of 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 296.35 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 82342030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).