4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one

C15H13N3O3 — CID 135829417

IUPAC4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one
SMILESCN1CC(c2ncc(Oc3ccccc3)cn2)=C(O)C1=O
InChIInChI=1S/C15H13N3O3/c1-18-9-12(13(19)15(18)20)14-16-7-11(8-17-14)21-10-5-3-2-4-6-10/h2-8,19H,9H2,1H3
InChIKeyRSQSQTVBNVJNOZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.01
Rot. Bonds3

About 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one

4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one (PubChem CID 135829417) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one
PubChem CID135829417
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one
SMILESCN1CC(c2ncc(Oc3ccccc3)cn2)=C(O)C1=O
InChIInChI=1S/C15H13N3O3/c1-18-9-12(13(19)15(18)20)14-16-7-11(8-17-14)21-10-5-3-2-4-6-10/h2-8,19H,9H2,1H3
InChIKeyRSQSQTVBNVJNOZ-UHFFFAOYSA-N
XLogP2.01
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
CID 90330455
2-chloro-5-phenoxypyrimidine;N-methylmethanamine
CID 87411766
CID 159259752
CID 159259752
(5-phenoxypyrimidin-2-yl)boronic acid
CID 127263203
2-methyl-5-phenoxypyridazin-3-one
CID 10750618
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005
3,5-dimethyl-2-[3-oxo-3-(5-phenoxypyrimidin-2-yl)propyl]cyclohexa-2,4-dien-1-one
CID 157272494
N-[[4-(3-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330583
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
oxophosphanium;phenoxybenzene
CID 161329594
5-(4-hydroxyphenoxy)-1H-pyrimidin-2-one
CID 59428055
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one (CID 135829417) is 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one is CN1CC(c2ncc(Oc3ccccc3)cn2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one?
The InChIKey is RSQSQTVBNVJNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-18-9-12(13(19)15(18)20)14-16-7-11(8-17-14)21-10-5-3-2-4-6-10/h2-8,19H,9H2,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one?
4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one has a molecular weight of 283.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 135829417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).