(4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone

C13H7ClFN3O2 — CID 21070552

IUPAC(4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone
SMILESNc1nc(Cl)ncc1C(=O)c1cc(F)cc2ccoc12
InChIInChI=1S/C13H7ClFN3O2/c14-13-17-5-9(12(16)18-13)10(19)8-4-7(15)3-6-1-2-20-11(6)8/h1-5H,(H2,16,17,18)
InChIKeyGHICLWZKLZNHJS-UHFFFAOYSA-N
MW291.67 g/mol
LogP2.83
Rot. Bonds2

About (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone

(4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone (PubChem CID 21070552) has the molecular formula C13H7ClFN3O2 and a molecular weight of 291.67 g/mol. Its IUPAC name is (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone
PubChem CID21070552
Molecular FormulaC13H7ClFN3O2
Molecular Weight291.67 g/mol
Exact Mass291.02
IUPAC Name(4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone
SMILESNc1nc(Cl)ncc1C(=O)c1cc(F)cc2ccoc12
InChIInChI=1S/C13H7ClFN3O2/c14-13-17-5-9(12(16)18-13)10(19)8-4-7(15)3-6-1-2-20-11(6)8/h1-5H,(H2,16,17,18)
InChIKeyGHICLWZKLZNHJS-UHFFFAOYSA-N
XLogP2.83
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
The IUPAC name of (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone (CID 21070552) is (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone is Nc1nc(Cl)ncc1C(=O)c1cc(F)cc2ccoc12.
What is the InChIKey of (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
The InChIKey is GHICLWZKLZNHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O2/c14-13-17-5-9(12(16)18-13)10(19)8-4-7(15)3-6-1-2-20-11(6)8/h1-5H,(H2,16,17,18).
What are the key properties of (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone?
(4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone has a molecular weight of 291.67 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chloropyrimidin-5-yl)-(5-fluoro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 21070552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).