N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C11H13N3O4S — CID 42589973

IUPACN-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCO)sc2n(C)c1=O
InChIInChI=1S/C11H13N3O4S/c1-13-9(17)6-5-7(8(16)12-3-4-15)19-10(6)14(2)11(13)18/h5,15H,3-4H2,1-2H3,(H,12,16)
InChIKeyZMEOSPADPDOFSO-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.98
Rot. Bonds3

About N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42589973) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42589973
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC NameN-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCO)sc2n(C)c1=O
InChIInChI=1S/C11H13N3O4S/c1-13-9(17)6-5-7(8(16)12-3-4-15)19-10(6)14(2)11(13)18/h5,15H,3-4H2,1-2H3,(H,12,16)
InChIKeyZMEOSPADPDOFSO-UHFFFAOYSA-N
XLogP-0.98
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 2732862
6-ethyl-3-(3-methylbutyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 2097915
N,3-diethyl-N-(2-hydroxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 155529645
3-(2-methoxyethyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 2431989
1,3-dimethyl-N-(2-morpholinoethyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 42589953
6-ethyl-2-mercapto-3-propylthieno[2,3-d]pyrimidin-4(3H)-one
CID 2097911
3-(2-fluoro-2-methylpropyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carbaldehyde
CID 134305633
N,5-dimethyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 141505533
3-Methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
CID 154000162
3-Ethyl-5-(1-fluoroethyl)-6-(3-hydroxypiperazine-1-carbonyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 162594729
1,3-dimethyl-N-(3-morpholinopropyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 42589957
1,3-Dimethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 42589959

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 42589973) is N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCCO)sc2n(C)c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZMEOSPADPDOFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-13-9(17)6-5-7(8(16)12-3-4-15)19-10(6)14(2)11(13)18/h5,15H,3-4H2,1-2H3,(H,12,16).
What are the key properties of N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 283.31 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42589973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).