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

C18H14FN3O3 — CID 146344834

IUPAC2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2F)o1
InChIInChI=1S/C18H14FN3O3/c1-9-6-7-12(24-9)15-14-16(22-18(20)21-15)13(25-17(14)23)8-10-4-2-3-5-11(10)19/h2-7,13H,8H2,1H3,(H2,20,21,22)
InChIKeyCRICHNNICAZBNL-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.22
Rot. Bonds3

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

2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344834) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344834
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2F)o1
InChIInChI=1S/C18H14FN3O3/c1-9-6-7-12(24-9)15-14-16(22-18(20)21-15)13(25-17(14)23)8-10-4-2-3-5-11(10)19/h2-7,13H,8H2,1H3,(H2,20,21,22)
InChIKeyCRICHNNICAZBNL-UHFFFAOYSA-N
XLogP3.22
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.22
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-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 146344834) is 2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2F)o1.
What is the InChIKey of 2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is CRICHNNICAZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-9-6-7-12(24-9)15-14-16(22-18(20)21-15)13(25-17(14)23)8-10-4-2-3-5-11(10)19/h2-7,13H,8H2,1H3,(H2,20,21,22).
What are the key properties of 2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 339.33 g/mol, XLogP of 3.22, 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-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).