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

C18H14N2OS — CID 123393467

IUPAC6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1ncc2c(-c3ccccc3)c(Cc3ccco3)sc2n1
InChIInChI=1S/C18H14N2OS/c1-12-19-11-15-17(13-6-3-2-4-7-13)16(22-18(15)20-12)10-14-8-5-9-21-14/h2-9,11H,10H2,1H3
InChIKeyYVYSSTKIUXJAGS-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.85
Rot. Bonds3

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

6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 123393467) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID123393467
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1ncc2c(-c3ccccc3)c(Cc3ccco3)sc2n1
InChIInChI=1S/C18H14N2OS/c1-12-19-11-15-17(13-6-3-2-4-7-13)16(22-18(15)20-12)10-14-8-5-9-21-14/h2-9,11H,10H2,1H3
InChIKeyYVYSSTKIUXJAGS-UHFFFAOYSA-N
XLogP4.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine (CID 123393467) is 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine is Cc1ncc2c(-c3ccccc3)c(Cc3ccco3)sc2n1.
What is the InChIKey of 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is YVYSSTKIUXJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-12-19-11-15-17(13-6-3-2-4-7-13)16(22-18(15)20-12)10-14-8-5-9-21-14/h2-9,11H,10H2,1H3.
What are the key properties of 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine?
6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 306.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 123393467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).