5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium

C12H11N2O6Y- — CID 89050890

IUPAC5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium
SMILESO=c1[nH]c(=O)n(C2COC(CO)O2)cc1-c1cc[c-]o1.[Y]
InChIInChI=1S/C12H11N2O6.Y/c15-5-10-19-6-9(20-10)14-4-7(8-2-1-3-18-8)11(16)13-12(14)17;/h1-2,4,9-10,15H,5-6H2,(H,13,16,17);/q-1;
InChIKeyHPNAMWYBTDPXMO-UHFFFAOYSA-N
MW368.13 g/mol
LogP-0.54
Rot. Bonds3

About 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium

5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium (PubChem CID 89050890) has the molecular formula C12H11N2O6Y- and a molecular weight of 368.13 g/mol. Its IUPAC name is 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium.

Molecular Properties

Compound Name5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium
PubChem CID89050890
Molecular FormulaC12H11N2O6Y-
Molecular Weight368.13 g/mol
Exact Mass367.97
IUPAC Name5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium
SMILESO=c1[nH]c(=O)n(C2COC(CO)O2)cc1-c1cc[c-]o1.[Y]
InChIInChI=1S/C12H11N2O6.Y/c15-5-10-19-6-9(20-10)14-4-7(8-2-1-3-18-8)11(16)13-12(14)17;/h1-2,4,9-10,15H,5-6H2,(H,13,16,17);/q-1;
InChIKeyHPNAMWYBTDPXMO-UHFFFAOYSA-N
XLogP-0.54
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.13
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-bromothiophen-2-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 18458117
5-ethynyl-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 87523895
5-[(E)-2-bromoethenyl]-1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 6474954
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-aminoacetate;hydrochloride
CID 44581776
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-methylpyrrol-2-yl)pyrimidine-2,4-dione
CID 14862148
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-thiazol-5-yl)pyrimidine-2,4-dione
CID 10041109
5-(4-fluorophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 11151381
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-yl)pyrimidine-2,4-dione
CID 90220460
5-(furan-3-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 515215
5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 10378633
5-(3-bromothiophen-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22211385

Frequently Asked Questions

What is the IUPAC name of 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium?
The IUPAC name of 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium (CID 89050890) is 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium.
What is the SMILES notation for 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium?
The canonical SMILES for 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium is O=c1[nH]c(=O)n(C2COC(CO)O2)cc1-c1cc[c-]o1.[Y].
What is the InChIKey of 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium?
The InChIKey is HPNAMWYBTDPXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O6.Y/c15-5-10-19-6-9(20-10)14-4-7(8-2-1-3-18-8)11(16)13-12(14)17;/h1-2,4,9-10,15H,5-6H2,(H,13,16,17);/q-1;.
What are the key properties of 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium?
5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium has a molecular weight of 368.13 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-furan-2-id-5-yl)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione;yttrium is sourced from PubChem (CID 89050890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).