4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine

C13H15ClN2S — CID 54977971

IUPAC4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
SMILESCc1cc(-c2nc(Cl)cc(C(C)C)n2)c(C)s1
InChIInChI=1S/C13H15ClN2S/c1-7(2)11-6-12(14)16-13(15-11)10-5-8(3)17-9(10)4/h5-7H,1-4H3
InChIKeyDUXBGXSSUAJINY-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine

4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine (PubChem CID 54977971) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
PubChem CID54977971
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
SMILESCc1cc(-c2nc(Cl)cc(C(C)C)n2)c(C)s1
InChIInChI=1S/C13H15ClN2S/c1-7(2)11-6-12(14)16-13(15-11)10-5-8(3)17-9(10)4/h5-7H,1-4H3
InChIKeyDUXBGXSSUAJINY-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine (CID 54977971) is 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine is Cc1cc(-c2nc(Cl)cc(C(C)C)n2)c(C)s1.
What is the InChIKey of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
The InChIKey is DUXBGXSSUAJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-7(2)11-6-12(14)16-13(15-11)10-5-8(3)17-9(10)4/h5-7H,1-4H3.
What are the key properties of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine has a molecular weight of 266.80 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 54977971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).