1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate

C11H9N2O3- — CID 20502779

IUPAC1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate
SMILESCN1C(=O)N=C([O-])C(c2ccccc2)C1=O
InChIInChI=1S/C11H10N2O3/c1-13-10(15)8(9(14)12-11(13)16)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,14,16)/p-1
InChIKeyYGVQNHPIDLCYTP-UHFFFAOYSA-M
MW217.20 g/mol
LogP0.12
Rot. Bonds1

About 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate

1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate (PubChem CID 20502779) has the molecular formula C11H9N2O3- and a molecular weight of 217.20 g/mol. Its IUPAC name is 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate.

Molecular Properties

Compound Name1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate
PubChem CID20502779
Molecular FormulaC11H9N2O3-
Molecular Weight217.20 g/mol
Exact Mass217.06
IUPAC Name1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate
SMILESCN1C(=O)N=C([O-])C(c2ccccc2)C1=O
InChIInChI=1S/C11H10N2O3/c1-13-10(15)8(9(14)12-11(13)16)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,14,16)/p-1
InChIKeyYGVQNHPIDLCYTP-UHFFFAOYSA-M
XLogP0.12
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate?
The IUPAC name of 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate (CID 20502779) is 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate.
What is the SMILES notation for 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate?
The canonical SMILES for 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate is CN1C(=O)N=C([O-])C(c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate?
The InChIKey is YGVQNHPIDLCYTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O3/c1-13-10(15)8(9(14)12-11(13)16)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,14,16)/p-1.
What are the key properties of 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate?
1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate has a molecular weight of 217.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate is sourced from PubChem (CID 20502779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).