2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine

C14H12N2OS — CID 69020703

IUPAC2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine
SMILESCc1nc(Oc2ccccc2)c2c(C)csc2n1
InChIInChI=1S/C14H12N2OS/c1-9-8-18-14-12(9)13(15-10(2)16-14)17-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyKIXHSFIDCSKRSZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.10
Rot. Bonds2

About 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine

2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine (PubChem CID 69020703) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine
PubChem CID69020703
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine
SMILESCc1nc(Oc2ccccc2)c2c(C)csc2n1
InChIInChI=1S/C14H12N2OS/c1-9-8-18-14-12(9)13(15-10(2)16-14)17-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyKIXHSFIDCSKRSZ-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine?
The IUPAC name of 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine (CID 69020703) is 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine is Cc1nc(Oc2ccccc2)c2c(C)csc2n1.
What is the InChIKey of 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine?
The InChIKey is KIXHSFIDCSKRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-8-18-14-12(9)13(15-10(2)16-14)17-11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine?
2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine has a molecular weight of 256.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 69020703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).