2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C24H29N3O3S — CID 55536585

IUPAC2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1OCC
InChIInChI=1S/C24H29N3O3S/c1-6-29-18-11-10-17(12-19(18)30-7-2)14(4)26-23(28)21-13(3)20-15(5)25-22(16-8-9-16)27-24(20)31-21/h10-12,14,16H,6-9H2,1-5H3,(H,26,28)
InChIKeyOJSNRPZIQZCYEP-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.47
Rot. Bonds8

About 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55536585) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55536585
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1OCC
InChIInChI=1S/C24H29N3O3S/c1-6-29-18-11-10-17(12-19(18)30-7-2)14(4)26-23(28)21-13(3)20-15(5)25-22(16-8-9-16)27-24(20)31-21/h10-12,14,16H,6-9H2,1-5H3,(H,26,28)
InChIKeyOJSNRPZIQZCYEP-UHFFFAOYSA-N
XLogP5.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43051867
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49318232
2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30706839
2-cyclopropyl-4,5-dimethyl-N-[3-(1-phenylethoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46550056
2-cyclopropyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35256649
2-cyclopropyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55819206
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55536585) is 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCOc1ccc(C(C)NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1OCC.
What is the InChIKey of 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OJSNRPZIQZCYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-6-29-18-11-10-17(12-19(18)30-7-2)14(4)26-23(28)21-13(3)20-15(5)25-22(16-8-9-16)27-24(20)31-21/h10-12,14,16H,6-9H2,1-5H3,(H,26,28).
What are the key properties of 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55536585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).