3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C17H20N2O5 — CID 3082190

IUPAC3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H20N2O5/c1-11-8-18(15-7-13(21)14(10-20)24-15)17(23)19(16(11)22)9-12-5-3-2-4-6-12/h2-6,8,13-15,20-21H,7,9-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyDBCHBEREBCGAIN-RRFJBIMHSA-N
MW332.36 g/mol
LogP0.01
Rot. Bonds4

About 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 3082190) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID3082190
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H20N2O5/c1-11-8-18(15-7-13(21)14(10-20)24-15)17(23)19(16(11)22)9-12-5-3-2-4-6-12/h2-6,8,13-15,20-21H,7,9-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyDBCHBEREBCGAIN-RRFJBIMHSA-N
XLogP0.01
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2',5'-Dideoxy-5'-[(Diphenylmethyl)amino]uridine
CID 54753440
6-benzyl-5-ethyl-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CID 10664169
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2-phenyl-acetamide
CID 5272853
2'-Deoxy-5-[(4-methylphenyl)ethynyl]uridine
CID 13008875
5-Phenylethynyluridine
CID 11163724
1-(4-Benzyloxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
CID 11473027
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-styryl]pyrimidine-2,4-dione
CID 6473807
N(3)-Phenacyluridine
CID 126831
1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-furan-2-yl]-1H-pyrimidine-2,4-dione
CID 44403913
3-Benzyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 267295
3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-(3-phenylpropyl)propanamide
CID 51360174
[[(2R,3S,4R,5R)-5-(3-benzyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 155568906

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 3082190) is 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DBCHBEREBCGAIN-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-11-8-18(15-7-13(21)14(10-20)24-15)17(23)19(16(11)22)9-12-5-3-2-4-6-12/h2-6,8,13-15,20-21H,7,9-10H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3082190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).