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

C21H23N3O2S — CID 43051867

IUPAC2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C21H23N3O2S/c1-11-17-13(3)22-19(14-9-10-14)24-21(17)27-18(11)20(25)23-12(2)15-7-5-6-8-16(15)26-4/h5-8,12,14H,9-10H2,1-4H3,(H,23,25)
InChIKeyPHTOAVBENUYXFF-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.69
Rot. Bonds5

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

2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 43051867) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID43051867
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C21H23N3O2S/c1-11-17-13(3)22-19(14-9-10-14)24-21(17)27-18(11)20(25)23-12(2)15-7-5-6-8-16(15)26-4/h5-8,12,14H,9-10H2,1-4H3,(H,23,25)
InChIKeyPHTOAVBENUYXFF-UHFFFAOYSA-N
XLogP4.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55536585
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
2-benzyl-N-[1-(2-methoxyphenyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 24544935
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-N-(2-methoxy-4-nitrophenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 39975723
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18290500
2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24659917
2-cyclopropyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35256649
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-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 43051867) is 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1C(C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C.
What is the InChIKey of 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PHTOAVBENUYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-11-17-13(3)22-19(14-9-10-14)24-21(17)27-18(11)20(25)23-12(2)15-7-5-6-8-16(15)26-4/h5-8,12,14H,9-10H2,1-4H3,(H,23,25).
What are the key properties of 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 43051867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).