N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C17H15F2N3OS — CID 33475880

IUPACN-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)Nc3ccc(F)c(F)c3)sc2n1
InChIInChI=1S/C17H15F2N3OS/c1-4-13-20-9(3)14-8(2)15(24-17(14)22-13)16(23)21-10-5-6-11(18)12(19)7-10/h5-7H,4H2,1-3H3,(H,21,23)
InChIKeyGDGYJKVQYVLWCR-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.40
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 33475880) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID33475880
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC NameN-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)Nc3ccc(F)c(F)c3)sc2n1
InChIInChI=1S/C17H15F2N3OS/c1-4-13-20-9(3)14-8(2)15(24-17(14)22-13)16(23)21-10-5-6-11(18)12(19)7-10/h5-7H,4H2,1-3H3,(H,21,23)
InChIKeyGDGYJKVQYVLWCR-UHFFFAOYSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18157752
2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044266
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46399876
N-(5-tert-butyl-2-hydroxyphenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18228324
2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 51116235
ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate
CID 43044207
2-ethyl-4,5-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25331738
2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 38046916
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33041084
N-(3,4-difluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344891
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285
N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845488

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 33475880) is N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)Nc3ccc(F)c(F)c3)sc2n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GDGYJKVQYVLWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-4-13-20-9(3)14-8(2)15(24-17(14)22-13)16(23)21-10-5-6-11(18)12(19)7-10/h5-7H,4H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 33475880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).