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

C20H19N3OS — CID 45274227

IUPAC6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C20H19N3OS/c1-12(2)16-8-9-17(24-16)19-22-18(21)15-11-14(25-20(15)23-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23)
InChIKeyBVTZXEVYMYHUKI-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.25
Rot. Bonds4

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

6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274227) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274227
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C20H19N3OS/c1-12(2)16-8-9-17(24-16)19-22-18(21)15-11-14(25-20(15)23-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23)
InChIKeyBVTZXEVYMYHUKI-UHFFFAOYSA-N
XLogP5.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.25
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-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45274227) is 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1.
What is the InChIKey of 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BVTZXEVYMYHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12(2)16-8-9-17(24-16)19-22-18(21)15-11-14(25-20(15)23-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).