4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine

C11H13ClN2S — CID 4961605

IUPAC4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(CC(C)C)csc2n1
InChIInChI=1S/C11H13ClN2S/c1-6(2)4-8-5-15-11-9(8)10(12)13-7(3)14-11/h5-6H,4H2,1-3H3
InChIKeyZCQYWAMMEQOPIM-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.85
Rot. Bonds2

About 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine

4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine (PubChem CID 4961605) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
PubChem CID4961605
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(CC(C)C)csc2n1
InChIInChI=1S/C11H13ClN2S/c1-6(2)4-8-5-15-11-9(8)10(12)13-7(3)14-11/h5-6H,4H2,1-3H3
InChIKeyZCQYWAMMEQOPIM-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine (CID 4961605) is 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine is Cc1nc(Cl)c2c(CC(C)C)csc2n1.
What is the InChIKey of 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The InChIKey is ZCQYWAMMEQOPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-6(2)4-8-5-15-11-9(8)10(12)13-7(3)14-11/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine has a molecular weight of 240.76 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 4961605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).