1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

C12H14N2O4 — CID 16728565

IUPAC1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESC=CCC1=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO
InChIInChI=1S/C12H14N2O4/c1-2-3-8-6-11(18-9(8)7-15)14-5-4-10(16)13-12(14)17/h2,4-6,9,11,15H,1,3,7H2,(H,13,16,17)/t9-,11-/m1/s1
InChIKeyGQROEKUWDGWYOR-MWLCHTKSSA-N
MW250.25 g/mol
LogP-0.07
Rot. Bonds4

About 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 16728565) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
PubChem CID16728565
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESC=CCC1=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO
InChIInChI=1S/C12H14N2O4/c1-2-3-8-6-11(18-9(8)7-15)14-5-4-10(16)13-12(14)17/h2,4-6,9,11,15H,1,3,7H2,(H,13,16,17)/t9-,11-/m1/s1
InChIKeyGQROEKUWDGWYOR-MWLCHTKSSA-N
XLogP-0.07
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione 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

dimethyl 2-[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]-2-methylpropanedioate
CID 15060386
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 727958
1-[(2R,3R,4R,5S)-4,5-bis(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 126578655
1-[(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 10660682
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 10354357
1-[3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 14578322
1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 173492521
1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-methoxy-4-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 170333749

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 16728565) is 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is C=CCC1=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO.
What is the InChIKey of 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The InChIKey is GQROEKUWDGWYOR-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-3-8-6-11(18-9(8)7-15)14-5-4-10(16)13-12(14)17/h2,4-6,9,11,15H,1,3,7H2,(H,13,16,17)/t9-,11-/m1/s1.
What are the key properties of 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 16728565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).