(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one

C18H12F2N4O2 — CID 146344837

IUPAC(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C\c1ccc(F)cc1F
InChIInChI=1S/C18H12F2N4O2/c1-24-12(7-9-4-5-10(19)8-11(9)20)15-14(17(24)25)16(23-18(21)22-15)13-3-2-6-26-13/h2-8H,1H3,(H2,21,22,23)/b12-7+
InChIKeyIUXMETJRDZCSHZ-KPKJPENVSA-N
MW354.32 g/mol
LogP3.18
Rot. Bonds2

About (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one

(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146344837) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one
PubChem CID146344837
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Name(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C\c1ccc(F)cc1F
InChIInChI=1S/C18H12F2N4O2/c1-24-12(7-9-4-5-10(19)8-11(9)20)15-14(17(24)25)16(23-18(21)22-15)13-3-2-6-26-13/h2-8H,1H3,(H2,21,22,23)/b12-7+
InChIKeyIUXMETJRDZCSHZ-KPKJPENVSA-N
XLogP3.18
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 10445452
[4-(3-Fluoro-benzoyl)-piperazin-1-yl]-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1164940
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
9-[(2-Fluorophenyl)methyl]-6-(furan-2-yl)purin-2-amine
CID 9857814
6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine
CID 9858219
6-(Furan-2-yl)-9-[(3-methylphenyl)methyl]purin-2-amine
CID 9901100

Frequently Asked Questions

What is the IUPAC name of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one (CID 146344837) is (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one is CN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C\c1ccc(F)cc1F.
What is the InChIKey of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is IUXMETJRDZCSHZ-KPKJPENVSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c1-24-12(7-9-4-5-10(19)8-11(9)20)15-14(17(24)25)16(23-18(21)22-15)13-3-2-6-26-13/h2-8H,1H3,(H2,21,22,23)/b12-7+.
What are the key properties of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?
(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 354.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).