1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione

C13H18N2O4 — CID 121369932

IUPAC1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C=CC(CO)O2)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C13H18N2O4/c1-8(2)15-12(17)9(3)6-14(13(15)18)11-5-4-10(7-16)19-11/h4-6,8,10-11,16H,7H2,1-3H3/t10?,11-/m1/s1
InChIKeyHVHOOYNAMXZUGQ-RRKGBCIJSA-N
MW266.30 g/mol
LogP0.35
Rot. Bonds3

About 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione

1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione (PubChem CID 121369932) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione
PubChem CID121369932
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C=CC(CO)O2)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C13H18N2O4/c1-8(2)15-12(17)9(3)6-14(13(15)18)11-5-4-10(7-16)19-11/h4-6,8,10-11,16H,7H2,1-3H3/t10?,11-/m1/s1
InChIKeyHVHOOYNAMXZUGQ-RRKGBCIJSA-N
XLogP0.35
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione (CID 121369932) is 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione is Cc1cn([C@H]2C=CC(CO)O2)c(=O)n(C(C)C)c1=O.
What is the InChIKey of 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is HVHOOYNAMXZUGQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)15-12(17)9(3)6-14(13(15)18)11-5-4-10(7-16)19-11/h4-6,8,10-11,16H,7H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione?
1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 121369932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).