2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one

C18H15FN4O2 — CID 146344779

IUPAC2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccccc1F
InChIInChI=1S/C18H15FN4O2/c1-23-12(9-10-5-2-3-6-11(10)19)15-14(17(23)24)16(22-18(20)21-15)13-7-4-8-25-13/h2-8,12H,9H2,1H3,(H2,20,21,22)
InChIKeyPPNJUCLGXKYSCJ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one

2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146344779) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID146344779
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccccc1F
InChIInChI=1S/C18H15FN4O2/c1-23-12(9-10-5-2-3-6-11(10)19)15-14(17(23)24)16(22-18(20)21-15)13-7-4-8-25-13/h2-8,12H,9H2,1H3,(H2,20,21,22)
InChIKeyPPNJUCLGXKYSCJ-UHFFFAOYSA-N
XLogP2.83
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 146344779) is 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one is CN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccccc1F.
What is the InChIKey of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is PPNJUCLGXKYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-23-12(9-10-5-2-3-6-11(10)19)15-14(17(23)24)16(22-18(20)21-15)13-7-4-8-25-13/h2-8,12H,9H2,1H3,(H2,20,21,22).
What are the key properties of 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 338.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).