1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione

C19H18N2O6 — CID 23762509

IUPAC1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O6/c22-10-16-14(23)8-17(27-16)21-9-15(18(24)20-19(21)25)26-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9,14,16-17,22-23H,8,10H2,(H,20,24,25)
InChIKeyHOHLDWVMIWKMOW-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.12
Rot. Bonds4

About 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione

1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione (PubChem CID 23762509) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione
PubChem CID23762509
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O6/c22-10-16-14(23)8-17(27-16)21-9-15(18(24)20-19(21)25)26-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9,14,16-17,22-23H,8,10H2,(H,20,24,25)
InChIKeyHOHLDWVMIWKMOW-UHFFFAOYSA-N
XLogP1.12
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] dihydrogen phosphate
CID 22841777
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyren-2-ylpyrimidine-2,4-dione
CID 89241147
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
5-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70974098
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
5-[(Z)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6249422
5-[(E)-2-bromoethenyl]-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57449483
1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-phenylethynyl)pyrimidine-2,4-dione
CID 91248561
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59189483
5-(9,10-dioxoanthracen-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 25228276
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-phenylethenyl)pyrimidine-2,4-dione
CID 11782475

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione?
The IUPAC name of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione (CID 23762509) is 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione?
The canonical SMILES for 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Oc1ccc2ccccc2c1.
What is the InChIKey of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione?
The InChIKey is HOHLDWVMIWKMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c22-10-16-14(23)8-17(27-16)21-9-15(18(24)20-19(21)25)26-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9,14,16-17,22-23H,8,10H2,(H,20,24,25).
What are the key properties of 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione?
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione has a molecular weight of 370.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione is sourced from PubChem (CID 23762509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).