4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine

C15H12Cl2N2S — CID 7129656

IUPAC4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine
SMILESCC(C)c1nc(Cl)c2c(-c3ccccc3Cl)csc2n1
InChIInChI=1S/C15H12Cl2N2S/c1-8(2)14-18-13(17)12-10(7-20-15(12)19-14)9-5-3-4-6-11(9)16/h3-8H,1-2H3
InChIKeyWHTFVDZGRRAUAM-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.79
Rot. Bonds2

About 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine

4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine (PubChem CID 7129656) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine
PubChem CID7129656
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC Name4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine
SMILESCC(C)c1nc(Cl)c2c(-c3ccccc3Cl)csc2n1
InChIInChI=1S/C15H12Cl2N2S/c1-8(2)14-18-13(17)12-10(7-20-15(12)19-14)9-5-3-4-6-11(9)16/h3-8H,1-2H3
InChIKeyWHTFVDZGRRAUAM-UHFFFAOYSA-N
XLogP5.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine (CID 7129656) is 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine is CC(C)c1nc(Cl)c2c(-c3ccccc3Cl)csc2n1.
What is the InChIKey of 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is WHTFVDZGRRAUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-8(2)14-18-13(17)12-10(7-20-15(12)19-14)9-5-3-4-6-11(9)16/h3-8H,1-2H3.
What are the key properties of 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine?
4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 323.25 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 7129656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).