2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one

C19H15F2N3O4 — CID 146344798

IUPAC2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2OC(F)F)o1
InChIInChI=1S/C19H15F2N3O4/c1-9-6-7-12(26-9)15-14-16(24-19(22)23-15)13(27-17(14)25)8-10-4-2-3-5-11(10)28-18(20)21/h2-7,13,18H,8H2,1H3,(H2,22,23,24)
InChIKeyNCGARAYSEDNMHB-UHFFFAOYSA-N
MW387.34 g/mol
LogP3.68
Rot. Bonds5

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

2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344798) has the molecular formula C19H15F2N3O4 and a molecular weight of 387.34 g/mol. Its IUPAC name is 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344798
Molecular FormulaC19H15F2N3O4
Molecular Weight387.34 g/mol
Exact Mass387.10
IUPAC Name2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2OC(F)F)o1
InChIInChI=1S/C19H15F2N3O4/c1-9-6-7-12(26-9)15-14-16(24-19(22)23-15)13(27-17(14)25)8-10-4-2-3-5-11(10)28-18(20)21/h2-7,13,18H,8H2,1H3,(H2,22,23,24)
InChIKeyNCGARAYSEDNMHB-UHFFFAOYSA-N
XLogP3.68
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 146344798) is 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2OC(F)F)o1.
What is the InChIKey of 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is NCGARAYSEDNMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4/c1-9-6-7-12(26-9)15-14-16(24-19(22)23-15)13(27-17(14)25)8-10-4-2-3-5-11(10)28-18(20)21/h2-7,13,18H,8H2,1H3,(H2,22,23,24).
What are the key properties of 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 387.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).