4-chloro-6-phenylthieno[3,2-d]pyrimidine

C12H7ClN2S — CID 2757862

IUPAC4-chloro-6-phenylthieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C12H7ClN2S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H
InChIKeyTXCQNLBFPQAYGH-UHFFFAOYSA-N
MW246.72 g/mol
LogP4.01
Rot. Bonds1

About 4-chloro-6-phenylthieno[3,2-d]pyrimidine

4-chloro-6-phenylthieno[3,2-d]pyrimidine (PubChem CID 2757862) has the molecular formula C12H7ClN2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 4-chloro-6-phenylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenylthieno[3,2-d]pyrimidine
PubChem CID2757862
Molecular FormulaC12H7ClN2S
Molecular Weight246.72 g/mol
Exact Mass246.00
IUPAC Name4-chloro-6-phenylthieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C12H7ClN2S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H
InChIKeyTXCQNLBFPQAYGH-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-phenylthieno[3,2-d]pyrimidine (CID 2757862) is 4-chloro-6-phenylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-phenylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-phenylthieno[3,2-d]pyrimidine is Clc1ncnc2cc(-c3ccccc3)sc12.
What is the InChIKey of 4-chloro-6-phenylthieno[3,2-d]pyrimidine?
The InChIKey is TXCQNLBFPQAYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-chloro-6-phenylthieno[3,2-d]pyrimidine?
4-chloro-6-phenylthieno[3,2-d]pyrimidine has a molecular weight of 246.72 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 2757862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).