sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate

C15H17N2NaO3 — CID 102240122

IUPACsodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate
SMILESCCCC1(CCc2ccccc2)C(=O)NC(=O)N=C1[O-].[Na+]
InChIInChI=1S/C15H18N2O3.Na/c1-2-9-15(10-8-11-6-4-3-5-7-11)12(18)16-14(20)17-13(15)19;/h3-7H,2,8-10H2,1H3,(H2,16,17,18,19,20);/q;+1/p-1
InChIKeyPBFXPHYWJILJBS-UHFFFAOYSA-M
MW296.30 g/mol
LogP-1.58
Rot. Bonds5

About sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate

sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate (PubChem CID 102240122) has the molecular formula C15H17N2NaO3 and a molecular weight of 296.30 g/mol. Its IUPAC name is sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate.

Molecular Properties

Compound Namesodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate
PubChem CID102240122
Molecular FormulaC15H17N2NaO3
Molecular Weight296.30 g/mol
Exact Mass296.11
IUPAC Namesodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate
SMILESCCCC1(CCc2ccccc2)C(=O)NC(=O)N=C1[O-].[Na+]
InChIInChI=1S/C15H18N2O3.Na/c1-2-9-15(10-8-11-6-4-3-5-7-11)12(18)16-14(20)17-13(15)19;/h3-7H,2,8-10H2,1H3,(H2,16,17,18,19,20);/q;+1/p-1
InChIKeyPBFXPHYWJILJBS-UHFFFAOYSA-M
XLogP-1.58
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131882586
CID 131882586
sodium 5-ethyl-4,6-dioxo-5-(6-phenylhexyl)-1H-pyrimidin-2-olate
CID 23703944
1-benzyl-5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2984459
2-benzyl-4-methyl-4-propyl-1,2,5-thiadiazolidin-3-one
CID 56984937
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
(2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate
CID 7145405
5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
CID 138389208
5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione
CID 144553239
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
5-(3-methylbutyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 1224379

Frequently Asked Questions

What is the IUPAC name of sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate?
The IUPAC name of sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate (CID 102240122) is sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate.
What is the SMILES notation for sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate?
The canonical SMILES for sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate is CCCC1(CCc2ccccc2)C(=O)NC(=O)N=C1[O-].[Na+].
What is the InChIKey of sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate?
The InChIKey is PBFXPHYWJILJBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N2O3.Na/c1-2-9-15(10-8-11-6-4-3-5-7-11)12(18)16-14(20)17-13(15)19;/h3-7H,2,8-10H2,1H3,(H2,16,17,18,19,20);/q;+1/p-1.
What are the key properties of sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate?
sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate has a molecular weight of 296.30 g/mol, XLogP of -1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,6-dioxo-5-(2-phenylethyl)-5-propylpyrimidin-4-olate is sourced from PubChem (CID 102240122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).