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

C19H14F2N4O2 — CID 146344811

IUPAC(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C/c2ccc(F)cc2F)o1
InChIInChI=1S/C19H14F2N4O2/c1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21/h3-8H,1-2H3,(H2,22,23,24)/b13-7+
InChIKeyJGTGCJUMWJSOSU-NTUHNPAUSA-N
MW368.34 g/mol
LogP3.49
Rot. Bonds2

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

(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146344811) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID146344811
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C/c2ccc(F)cc2F)o1
InChIInChI=1S/C19H14F2N4O2/c1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21/h3-8H,1-2H3,(H2,22,23,24)/b13-7+
InChIKeyJGTGCJUMWJSOSU-NTUHNPAUSA-N
XLogP3.49
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
Pyrimidine-4-carboxamide, 112
CID 44520977
Pyrimidine-4-carboxamide, 113
CID 44520978
Pyrimidine-4-carboxamide, 114
CID 44520979
9-[(2-Fluorophenyl)methyl]-6-(furan-2-yl)purin-2-amine
CID 9857814
9-(2,6-Difluoro-benzyl)-6-furan-2-yl-9H-purin-2-ylamine
CID 9967147
2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidine-4-carboxamide
CID 11162618
2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidine-4-carboxamide
CID 11392671
2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 11483771
3-[(2-Fluorophenyl)methyl]-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874647
2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45267125
2-amino-6-(furan-2-yl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamide
CID 45267130

Frequently Asked Questions

What is the IUPAC name of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one (CID 146344811) is (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C/c2ccc(F)cc2F)o1.
What is the InChIKey of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is JGTGCJUMWJSOSU-NTUHNPAUSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21/h3-8H,1-2H3,(H2,22,23,24)/b13-7+.
What are the key properties of (7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
(7E)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 368.34 g/mol, XLogP of 3.49, 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]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).