5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C13H18N4O3S — CID 155525800

IUPAC5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H18N4O3S/c1-5-17(6-2)11(19)9-8(14)7-10(18)15(3)13(20)16(4)12(7)21-9/h5-6,14H2,1-4H3
InChIKeyRZAVAIWIRNXQIY-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.36
Rot. Bonds3

About 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 155525800) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID155525800
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H18N4O3S/c1-5-17(6-2)11(19)9-8(14)7-10(18)15(3)13(20)16(4)12(7)21-9/h5-6,14H2,1-4H3
InChIKeyRZAVAIWIRNXQIY-UHFFFAOYSA-N
XLogP0.36
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583251
3-Ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 155560676
2,3-Dihydro-5,6-dimethyl-3-(2-propen-1-yl)-2-thioxothieno(2,3-d)pyrimidin-4(1H)-one
CID 722257
5-Amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 4848463
Thieno(2,3-d)pyrimidine-2,4(1H,3H)-dione, 3-cyclohexyl-5,6-dimethyl-
CID 3075761
4-Cyclohexyl-11-propanoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
CID 46085836
6-(butylcarbamothioyl)-2-(hexanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 155564471
3-Ethyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one
CID 700125
7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 2732865
5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 709236
2-mercapto-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 671758
3,5-diethyl-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 2103970

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 155525800) is 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RZAVAIWIRNXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-5-17(6-2)11(19)9-8(14)7-10(18)15(3)13(20)16(4)12(7)21-9/h5-6,14H2,1-4H3.
What are the key properties of 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155525800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).