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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Related Compounds

1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
CID 10466814
5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 21186033
ethanol;1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;bis(1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione)
CID 158842131
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 727958
5-(2-bromoethenyl)-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 173088275
1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 5204910
5-methyl-1-[(2R,5R)-5-(2-phosphanylethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 45113936
[5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 59380884
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
CID 10255754
[(2S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
CID 169257154

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).