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

C17H10BrF2N3O3 — CID 146344805

IUPAC2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(Br)o2)c2c(n1)C(Cc1ccc(F)cc1F)OC2=O
InChIInChI=1S/C17H10BrF2N3O3/c18-12-4-3-10(25-12)14-13-15(23-17(21)22-14)11(26-16(13)24)5-7-1-2-8(19)6-9(7)20/h1-4,6,11H,5H2,(H2,21,22,23)
InChIKeyRRXBYESRFWBVNT-UHFFFAOYSA-N
MW422.19 g/mol
LogP3.81
Rot. Bonds3

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

2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344805) has the molecular formula C17H10BrF2N3O3 and a molecular weight of 422.19 g/mol. Its IUPAC name is 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344805
Molecular FormulaC17H10BrF2N3O3
Molecular Weight422.19 g/mol
Exact Mass420.99
IUPAC Name2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(Br)o2)c2c(n1)C(Cc1ccc(F)cc1F)OC2=O
InChIInChI=1S/C17H10BrF2N3O3/c18-12-4-3-10(25-12)14-13-15(23-17(21)22-14)11(26-16(13)24)5-7-1-2-8(19)6-9(7)20/h1-4,6,11H,5H2,(H2,21,22,23)
InChIKeyRRXBYESRFWBVNT-UHFFFAOYSA-N
XLogP3.81
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 146344805) is 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one is Nc1nc(-c2ccc(Br)o2)c2c(n1)C(Cc1ccc(F)cc1F)OC2=O.
What is the InChIKey of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is RRXBYESRFWBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF2N3O3/c18-12-4-3-10(25-12)14-13-15(23-17(21)22-14)11(26-16(13)24)5-7-1-2-8(19)6-9(7)20/h1-4,6,11H,5H2,(H2,21,22,23).
What are the key properties of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 422.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).