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

C21H26N4O3S — CID 4060266

IUPAC4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c12
InChIInChI=1S/C21H26N4O3S/c1-7-25(8-2)19-17-12(3)18(29-21(17)23-13(4)22-19)20(26)24-14-9-10-15(27-5)16(11-14)28-6/h9-11H,7-8H2,1-6H3,(H,24,26)
InChIKeyJWDYGYHWUQTEIP-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.42
Rot. Bonds7

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

4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4060266) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4060266
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c12
InChIInChI=1S/C21H26N4O3S/c1-7-25(8-2)19-17-12(3)18(29-21(17)23-13(4)22-19)20(26)24-14-9-10-15(27-5)16(11-14)28-6/h9-11H,7-8H2,1-6H3,(H,24,26)
InChIKeyJWDYGYHWUQTEIP-UHFFFAOYSA-N
XLogP4.42
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(diethylamino)-N-(2-methoxy-5-nitrophenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4065574
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285
4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23987564
N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3586131
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2,5-dimethyl-4-(N-methyl-4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3525845
N-(2-methoxy-5-methylphenyl)-2,5-dimethyl-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3521487
4-(diethylamino)-N-(furan-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 15995991
4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4054118
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
methyl 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47018178
N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363857

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 4060266) is 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)c1nc(C)nc2sc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c12.
What is the InChIKey of 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JWDYGYHWUQTEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-7-25(8-2)19-17-12(3)18(29-21(17)23-13(4)22-19)20(26)24-14-9-10-15(27-5)16(11-14)28-6/h9-11H,7-8H2,1-6H3,(H,24,26).
What are the key properties of 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4060266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).