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

C17H11N3O4S — CID 1323712

IUPAC(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccs1)c1ccco1
InChIInChI=1S/C17H11N3O4S/c21-14(10-4-1-8-24-10)12-13(11-5-2-9-25-11)20(16(23)15(12)22)17-18-6-3-7-19-17/h1-9,13,22H/t13-/m0/s1
InChIKeyDTPDDQVDXNRODJ-ZDUSSCGKSA-N
MW353.36 g/mol
LogP2.91
Rot. Bonds4

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

(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 1323712) has the molecular formula C17H11N3O4S and a molecular weight of 353.36 g/mol. Its IUPAC name is (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID1323712
Molecular FormulaC17H11N3O4S
Molecular Weight353.36 g/mol
Exact Mass353.05
IUPAC Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccs1)c1ccco1
InChIInChI=1S/C17H11N3O4S/c21-14(10-4-1-8-24-10)12-13(11-5-2-9-25-11)20(16(23)15(12)22)17-18-6-3-7-19-17/h1-9,13,22H/t13-/m0/s1
InChIKeyDTPDDQVDXNRODJ-ZDUSSCGKSA-N
XLogP2.91
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one (CID 1323712) is (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccs1)c1ccco1.
What is the InChIKey of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is DTPDDQVDXNRODJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H11N3O4S/c21-14(10-4-1-8-24-10)12-13(11-5-2-9-25-11)20(16(23)15(12)22)17-18-6-3-7-19-17/h1-9,13,22H/t13-/m0/s1.
What are the key properties of (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 353.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).