2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one

C17H12FN3O3 — CID 146344785

IUPAC2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1F)OC2=O
InChIInChI=1S/C17H12FN3O3/c18-10-5-2-1-4-9(10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-6-3-7-23-11/h1-7,12H,8H2,(H2,19,20,21)
InChIKeyBUPZGFRKUPKFJL-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.91
Rot. Bonds3

About 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one

2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344785) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344785
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1F)OC2=O
InChIInChI=1S/C17H12FN3O3/c18-10-5-2-1-4-9(10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-6-3-7-23-11/h1-7,12H,8H2,(H2,19,20,21)
InChIKeyBUPZGFRKUPKFJL-UHFFFAOYSA-N
XLogP2.91
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 146344785) is 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1F)OC2=O.
What is the InChIKey of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is BUPZGFRKUPKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-10-5-2-1-4-9(10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-6-3-7-23-11/h1-7,12H,8H2,(H2,19,20,21).
What are the key properties of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 325.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).