2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C22H21N3O3S — CID 18230491

IUPAC2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C
InChIInChI=1S/C22H21N3O3S/c1-4-11-27-16-9-6-5-8-15(16)24-21(26)19-13(2)18-14(3)23-20(25-22(18)29-19)17-10-7-12-28-17/h5-10,12H,4,11H2,1-3H3,(H,24,26)
InChIKeyMNFURWZCTVXFNZ-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.61
Rot. Bonds6

About 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18230491) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18230491
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C
InChIInChI=1S/C22H21N3O3S/c1-4-11-27-16-9-6-5-8-15(16)24-21(26)19-13(2)18-14(3)23-20(25-22(18)29-19)17-10-7-12-28-17/h5-10,12H,4,11H2,1-3H3,(H,24,26)
InChIKeyMNFURWZCTVXFNZ-UHFFFAOYSA-N
XLogP5.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24629562
N-(2,4-dichlorophenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32690486
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33265187
2-(furan-2-yl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386888
2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18283714
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386272
N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32838370
N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628326
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24635446
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18290500

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 18230491) is 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is CCCOc1ccccc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C.
What is the InChIKey of 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MNFURWZCTVXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-4-11-27-16-9-6-5-8-15(16)24-21(26)19-13(2)18-14(3)23-20(25-22(18)29-19)17-10-7-12-28-17/h5-10,12H,4,11H2,1-3H3,(H,24,26).
What are the key properties of 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18230491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).