(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one

C19H12FN3O4 — CID 1323770

IUPAC(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F)c1ccco1
InChIInChI=1S/C19H12FN3O4/c20-12-6-2-1-5-11(12)15-14(16(24)13-7-3-10-27-13)17(25)18(26)23(15)19-21-8-4-9-22-19/h1-10,15,25H/t15-/m1/s1
InChIKeyMLTBKXNVJIGXFF-OAHLLOKOSA-N
MW365.32 g/mol
LogP2.99
Rot. Bonds4

About (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one

(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one (PubChem CID 1323770) has the molecular formula C19H12FN3O4 and a molecular weight of 365.32 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
PubChem CID1323770
Molecular FormulaC19H12FN3O4
Molecular Weight365.32 g/mol
Exact Mass365.08
IUPAC Name(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F)c1ccco1
InChIInChI=1S/C19H12FN3O4/c20-12-6-2-1-5-11(12)15-14(16(24)13-7-3-10-27-13)17(25)18(26)23(15)19-21-8-4-9-22-19/h1-10,15,25H/t15-/m1/s1
InChIKeyMLTBKXNVJIGXFF-OAHLLOKOSA-N
XLogP2.99
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one (CID 1323770) is (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F)c1ccco1.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The InChIKey is MLTBKXNVJIGXFF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H12FN3O4/c20-12-6-2-1-5-11(12)15-14(16(24)13-7-3-10-27-13)17(25)18(26)23(15)19-21-8-4-9-22-19/h1-10,15,25H/t15-/m1/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one has a molecular weight of 365.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1323770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).