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

C13H10N2S — CID 58810662

IUPAC4-methyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C13H10N2S/c1-9-11-7-12(10-5-3-2-4-6-10)16-13(11)15-8-14-9/h2-8H,1H3
InChIKeyRQNVQTMAVXKQLO-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.67
Rot. Bonds1

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

4-methyl-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 58810662) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methyl-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-phenylthieno[2,3-d]pyrimidine
PubChem CID58810662
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name4-methyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C13H10N2S/c1-9-11-7-12(10-5-3-2-4-6-10)16-13(11)15-8-14-9/h2-8H,1H3
InChIKeyRQNVQTMAVXKQLO-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-methyl-6-phenylthieno[2,3-d]pyrimidine (CID 58810662) is 4-methyl-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-methyl-6-phenylthieno[2,3-d]pyrimidine is Cc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is RQNVQTMAVXKQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-9-11-7-12(10-5-3-2-4-6-10)16-13(11)15-8-14-9/h2-8H,1H3.
What are the key properties of 4-methyl-6-phenylthieno[2,3-d]pyrimidine?
4-methyl-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 226.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 58810662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).