4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine

C16H12N4OS — CID 59732402

IUPAC4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1ccc(CNc2nc(-c3ccco3)c3sccc3n2)nc1
InChIInChI=1S/C16H12N4OS/c1-2-7-17-11(4-1)10-18-16-19-12-6-9-22-15(12)14(20-16)13-5-3-8-21-13/h1-9H,10H2,(H,18,19,20)
InChIKeyCCKCHYDCVBYMFI-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.96
Rot. Bonds4

About 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine

4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 59732402) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID59732402
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1ccc(CNc2nc(-c3ccco3)c3sccc3n2)nc1
InChIInChI=1S/C16H12N4OS/c1-2-7-17-11(4-1)10-18-16-19-12-6-9-22-15(12)14(20-16)13-5-3-8-21-13/h1-9H,10H2,(H,18,19,20)
InChIKeyCCKCHYDCVBYMFI-UHFFFAOYSA-N
XLogP3.96
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine (CID 59732402) is 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine is c1ccc(CNc2nc(-c3ccco3)c3sccc3n2)nc1.
What is the InChIKey of 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is CCKCHYDCVBYMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-2-7-17-11(4-1)10-18-16-19-12-6-9-22-15(12)14(20-16)13-5-3-8-21-13/h1-9H,10H2,(H,18,19,20).
What are the key properties of 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine?
4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 308.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 59732402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).