1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

C10H12N2O4 — CID 10656747

IUPAC1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2C=C(CO)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-6-3-12(10(15)11-9(6)14)8-2-7(4-13)5-16-8/h2-3,8,13H,4-5H2,1H3,(H,11,14,15)
InChIKeyIHXUUDGAQRWVGF-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.71
Rot. Bonds2

About 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 10656747) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID10656747
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2C=C(CO)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-6-3-12(10(15)11-9(6)14)8-2-7(4-13)5-16-8/h2-3,8,13H,4-5H2,1H3,(H,11,14,15)
InChIKeyIHXUUDGAQRWVGF-UHFFFAOYSA-N
XLogP-0.71
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-fluoro-4-hydroxybut-2-enyl]-5-methylpyrimidine-2,4-dione
CID 10081944
1-[(2R)-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 484355
1-(4-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
CID 484356
5-fluoro-1-[(2R)-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 484357
5-chloro-1-[(2R)-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 484358
5-bromo-1-[(2S)-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 484359
1-(4-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione
CID 484360
1-[(E)-4-hydroxy-3-methyl-but-2-enyl]-5-methyl-pyrimidine-2,4-dione
CID 5276911
1-[4-Hydroxy-3-(hydroxymethyl)but-2-enyl]-5-methyl-pyrimidine-2,4-dione
CID 5276912
1-[(Z)-4-Hydroxy-2-butenyl]thymine
CID 6474727
1-[(E)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methyl-pyrimidine-2,4-dione
CID 6474979
1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methyl-pyrimidine-2,4-dione
CID 6474980

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (CID 10656747) is 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2C=C(CO)CO2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is IHXUUDGAQRWVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-12(10(15)11-9(6)14)8-2-7(4-13)5-16-8/h2-3,8,13H,4-5H2,1H3,(H,11,14,15).
What are the key properties of 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 224.22 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10656747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).