6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine

C17H12N2OS — CID 173185049

IUPAC6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1ncc2c(-c3ccccc3)c(-c3ccco3)sc2n1
InChIInChI=1S/C17H12N2OS/c1-11-18-10-13-15(12-6-3-2-4-7-12)16(21-17(13)19-11)14-8-5-9-20-14/h2-10H,1H3
InChIKeyCRRHPNMIIIWWDK-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.93
Rot. Bonds2

About 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine

6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 173185049) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID173185049
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1ncc2c(-c3ccccc3)c(-c3ccco3)sc2n1
InChIInChI=1S/C17H12N2OS/c1-11-18-10-13-15(12-6-3-2-4-7-12)16(21-17(13)19-11)14-8-5-9-20-14/h2-10H,1H3
InChIKeyCRRHPNMIIIWWDK-UHFFFAOYSA-N
XLogP4.93
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine (CID 173185049) is 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine is Cc1ncc2c(-c3ccccc3)c(-c3ccco3)sc2n1.
What is the InChIKey of 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is CRRHPNMIIIWWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-18-10-13-15(12-6-3-2-4-7-12)16(21-17(13)19-11)14-8-5-9-20-14/h2-10H,1H3.
What are the key properties of 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 292.36 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 173185049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).