3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide

C20H21N3O2S — CID 53197529

IUPAC3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCc1ccc(CNC(=O)c2c(C)sc3c(=O)n(C4CC4)cnc23)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-13-4-6-14(7-5-13)10-21-19(24)16-12(2)26-18-17(16)22-11-23(20(18)25)15-8-9-15/h4-7,11,15H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyWFHSZMMXQXTMNL-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.59
Rot. Bonds5

About 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide

3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197529) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197529
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCc1ccc(CNC(=O)c2c(C)sc3c(=O)n(C4CC4)cnc23)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-13-4-6-14(7-5-13)10-21-19(24)16-12(2)26-18-17(16)22-11-23(20(18)25)15-8-9-15/h4-7,11,15H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyWFHSZMMXQXTMNL-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide (CID 53197529) is 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide is CCc1ccc(CNC(=O)c2c(C)sc3c(=O)n(C4CC4)cnc23)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is WFHSZMMXQXTMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-13-4-6-14(7-5-13)10-21-19(24)16-12(2)26-18-17(16)22-11-23(20(18)25)15-8-9-15/h4-7,11,15H,3,8-10H2,1-2H3,(H,21,24).
What are the key properties of 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).