4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine

C13H9ClN2S — CID 2531878

IUPAC4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C13H9ClN2S/c1-8-15-12(14)11-10(7-17-13(11)16-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMHSRBJIRDADQGQ-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.32
Rot. Bonds1

About 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine

4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 2531878) has the molecular formula C13H9ClN2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID2531878
Molecular FormulaC13H9ClN2S
Molecular Weight260.75 g/mol
Exact Mass260.02
IUPAC Name4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C13H9ClN2S/c1-8-15-12(14)11-10(7-17-13(11)16-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMHSRBJIRDADQGQ-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.32
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-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine (CID 2531878) is 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine is Cc1nc(Cl)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is MHSRBJIRDADQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S/c1-8-15-12(14)11-10(7-17-13(11)16-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 260.75 g/mol, XLogP of 4.32, 1 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-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2531878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).