2-methyl-4-phenoxythieno[2,3-d]pyrimidine

C13H10N2OS — CID 1233965

IUPAC2-methyl-4-phenoxythieno[2,3-d]pyrimidine
SMILESCc1nc(Oc2ccccc2)c2ccsc2n1
InChIInChI=1S/C13H10N2OS/c1-9-14-12(11-7-8-17-13(11)15-9)16-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyLAVLGTCEKZOBNX-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.79
Rot. Bonds2

About 2-methyl-4-phenoxythieno[2,3-d]pyrimidine

2-methyl-4-phenoxythieno[2,3-d]pyrimidine (PubChem CID 1233965) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-4-phenoxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenoxythieno[2,3-d]pyrimidine
PubChem CID1233965
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-methyl-4-phenoxythieno[2,3-d]pyrimidine
SMILESCc1nc(Oc2ccccc2)c2ccsc2n1
InChIInChI=1S/C13H10N2OS/c1-9-14-12(11-7-8-17-13(11)15-9)16-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyLAVLGTCEKZOBNX-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenoxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-phenoxythieno[2,3-d]pyrimidine (CID 1233965) is 2-methyl-4-phenoxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-phenoxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-phenoxythieno[2,3-d]pyrimidine is Cc1nc(Oc2ccccc2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-phenoxythieno[2,3-d]pyrimidine?
The InChIKey is LAVLGTCEKZOBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-14-12(11-7-8-17-13(11)15-9)16-10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-methyl-4-phenoxythieno[2,3-d]pyrimidine?
2-methyl-4-phenoxythieno[2,3-d]pyrimidine has a molecular weight of 242.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenoxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 1233965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).