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

C17H13FN4OS — CID 59279423

IUPAC6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)o1
InChIInChI=1S/C17H13FN4OS/c1-9-4-5-14(23-9)16-21-15(19)11-7-10(24-17(11)22-16)8-13-12(18)3-2-6-20-13/h2-7H,8H2,1H3,(H2,19,21,22)
InChIKeyVJTCOAKIKBIJGS-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.97
Rot. Bonds3

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

6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59279423) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59279423
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)o1
InChIInChI=1S/C17H13FN4OS/c1-9-4-5-14(23-9)16-21-15(19)11-7-10(24-17(11)22-16)8-13-12(18)3-2-6-20-13/h2-7H,8H2,1H3,(H2,19,21,22)
InChIKeyVJTCOAKIKBIJGS-UHFFFAOYSA-N
XLogP3.97
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 59279423) is 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)o1.
What is the InChIKey of 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VJTCOAKIKBIJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-9-4-5-14(23-9)16-21-15(19)11-7-10(24-17(11)22-16)8-13-12(18)3-2-6-20-13/h2-7H,8H2,1H3,(H2,19,21,22).
What are the key properties of 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59279423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).