6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C18H15N3OS — CID 45275517

IUPAC6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C18H15N3OS/c1-11-7-8-15(22-11)17-20-16(19)14-10-13(23-18(14)21-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,19,20,21)
InChIKeyLMPCWHWIGICQCW-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.43
Rot. Bonds3

About 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275517) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275517
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C18H15N3OS/c1-11-7-8-15(22-11)17-20-16(19)14-10-13(23-18(14)21-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,19,20,21)
InChIKeyLMPCWHWIGICQCW-UHFFFAOYSA-N
XLogP4.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45275517) is 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1.
What is the InChIKey of 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LMPCWHWIGICQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-7-8-15(22-11)17-20-16(19)14-10-13(23-18(14)21-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,19,20,21).
What are the key properties of 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).