azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate

C12H15N3O4 — CID 44660539

IUPACazanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate
SMILESCOc1ccccc1Cc1c([O-])[nH]c(=O)[nH]c1=O.[NH4+]
InChIInChI=1S/C12H12N2O4.H3N/c1-18-9-5-3-2-4-7(9)6-8-10(15)13-12(17)14-11(8)16;/h2-5H,6H2,1H3,(H3,13,14,15,16,17);1H3
InChIKeyPLKSZIWYLYZJIE-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.11
Rot. Bonds3

About azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate

azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate (PubChem CID 44660539) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate.

Molecular Properties

Compound Nameazanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate
PubChem CID44660539
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameazanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate
SMILESCOc1ccccc1Cc1c([O-])[nH]c(=O)[nH]c1=O.[NH4+]
InChIInChI=1S/C12H12N2O4.H3N/c1-18-9-5-3-2-4-7(9)6-8-10(15)13-12(17)14-11(8)16;/h2-5H,6H2,1H3,(H3,13,14,15,16,17);1H3
InChIKeyPLKSZIWYLYZJIE-UHFFFAOYSA-N
XLogP0.11
TPSA134.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

azanium 5-[(2-nitrophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate
CID 44661110
5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83954528
6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 83954623
methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225123
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 160889677
6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 91276265
lithium (2-methoxyphenyl)methanolate
CID 139799103
6-[(2,3-dimethoxyphenyl)methyl]-2H-1,2,4-triazine-3,5-dione
CID 82554305
4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70494743

Frequently Asked Questions

What is the IUPAC name of azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate?
The IUPAC name of azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate (CID 44660539) is azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate.
What is the SMILES notation for azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate?
The canonical SMILES for azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate is COc1ccccc1Cc1c([O-])[nH]c(=O)[nH]c1=O.[NH4+].
What is the InChIKey of azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate?
The InChIKey is PLKSZIWYLYZJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4.H3N/c1-18-9-5-3-2-4-7(9)6-8-10(15)13-12(17)14-11(8)16;/h2-5H,6H2,1H3,(H3,13,14,15,16,17);1H3.
What are the key properties of azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate?
azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate has a molecular weight of 265.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate is sourced from PubChem (CID 44660539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).