N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide

C18H24F3N3O4S — CID 155549654

IUPACN,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCOC)c(=O)n2CCC(F)(F)F
InChIInChI=1S/C18H24F3N3O4S/c1-5-22(6-2)15(26)13-11(3)12-14(25)23(9-10-28-4)17(27)24(16(12)29-13)8-7-18(19,20)21/h5-10H2,1-4H3
InChIKeyYFADZLOBWBWUMO-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.61
Rot. Bonds8

About N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide

N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 155549654) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID155549654
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC NameN,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCOC)c(=O)n2CCC(F)(F)F
InChIInChI=1S/C18H24F3N3O4S/c1-5-22(6-2)15(26)13-11(3)12-14(25)23(9-10-28-4)17(27)24(16(12)29-13)8-7-18(19,20)21/h5-10H2,1-4H3
InChIKeyYFADZLOBWBWUMO-UHFFFAOYSA-N
XLogP2.61
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118016229
1-ethyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 2219623
11-Ethyl-9-(2-methoxyethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
CID 155514761
1-(2-Methoxyethyl)-5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 155518555
N,N-diethyl-1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 155520492
3-Ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 155522797
1-(2-Methoxyethyl)-5-methyl-3-(2-phenylethyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155523200
N,3-diethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 155526277
1-(2-Methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155526352
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-(2,2-Difluoro-2-phenylethyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 155537687
3-Ethyl-6-(3-hydroxyazetidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155543633

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 155549654) is N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCOC)c(=O)n2CCC(F)(F)F.
What is the InChIKey of N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YFADZLOBWBWUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O4S/c1-5-22(6-2)15(26)13-11(3)12-14(25)23(9-10-28-4)17(27)24(16(12)29-13)8-7-18(19,20)21/h5-10H2,1-4H3.
What are the key properties of N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155549654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).