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

C14H15ClN4S — CID 103322814

IUPAC2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3ccc(C(C)C)n3)nc(Cl)nc2s1
InChIInChI=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
InChIKeyKDBCGZFVCUZOKT-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.22
Rot. Bonds3

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 Name2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
PubChem CID103322814
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3ccc(C(C)C)n3)nc(Cl)nc2s1
InChIInChI=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
InChIKeyKDBCGZFVCUZOKT-UHFFFAOYSA-N
XLogP4.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).