2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine

C₁₄H₁₅ClN₄S — CID 103322814

About 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine

2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 103322814) has the molecular formula C₁₄H₁₅ClN₄S and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
• PubChem CID: 103322814
• Molecular Formula: C₁₄H₁₅ClN₄S
• Molecular Weight: 306.82 g/mol
• Exact Mass: 306.07
• IUPAC Name: 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
• SMILES: CCc1cc2c(-n3ccc(C(C)C)n3)nc(Cl)nc2s1
• InChI: InChI=1S/C14H15ClN4S/c1-4-9-7-10-12(16-14(15)17-13(10)20-9)19-6-5-11(18-19)8(2)3/h5-8H,4H2,1-3H3
• InChIKey: KDBCGZFVCUZOKT-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.82
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?

The IUPAC name of 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine (CID 103322814) is 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine.

What is the SMILES notation for 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?

The canonical SMILES for 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine is CCc1cc2c(-n3ccc(C(C)C)n3)nc(Cl)nc2s1.

What is the InChIKey of 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?

The InChIKey is KDBCGZFVCUZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-4-9-7-10-12(16-14(15)17-13(10)20-9)19-6-5-11(18-19)8(2)3/h5-8H,4H2,1-3H3.

What are the key properties of 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?

2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 306.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103322814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103322814 — identifiers, structure, computed properties (public domain)

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