1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione

C20H24N2O5 — CID 11574291

IUPAC1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2[C@H](O)[C@@H]3C[C@H]2[C@@H](OCc2ccccc2)[C@@H]3CO)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N2O5/c1-11-8-22(20(26)21-19(11)25)16-14-7-13(17(16)24)15(9-23)18(14)27-10-12-5-3-2-4-6-12/h2-6,8,13-18,23-24H,7,9-10H2,1H3,(H,21,25,26)/t13-,14-,15-,16-,17-,18-/m1/s1
InChIKeyDPUVDXPFUIEAML-TYENPDHQSA-N
MW372.42 g/mol
LogP0.59
Rot. Bonds5

About 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione

1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione (PubChem CID 11574291) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
PubChem CID11574291
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2[C@H](O)[C@@H]3C[C@H]2[C@@H](OCc2ccccc2)[C@@H]3CO)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N2O5/c1-11-8-22(20(26)21-19(11)25)16-14-7-13(17(16)24)15(9-23)18(14)27-10-12-5-3-2-4-6-12/h2-6,8,13-18,23-24H,7,9-10H2,1H3,(H,21,25,26)/t13-,14-,15-,16-,17-,18-/m1/s1
InChIKeyDPUVDXPFUIEAML-TYENPDHQSA-N
XLogP0.59
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 54768279
1-[(2R,3aR,4R,5S,6R,6aR)-4,5-dihydroxy-3a,6-bis(phenylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10896129
1-[(1S,2R,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
CID 46186324
1-[(2R,3R,3aS,6R,6aR)-3-hydroxy-3a,6-bis(phenylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139092300
1-[(2R,3S,5S,6R)-4-hydroxy-3-methoxy-9-methyl-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-2-yl]-5-methylpyrimidine-2,4-dione
CID 176641448
(2R,3S,4R,5R)-4-aminooxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 56930953
(2R,5R)-4-hydroxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 163858367
1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 160579516
1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11037272
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-methyl-3-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 142642622
2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl]oxyisoindole-1,3-dione
CID 56930951
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione (CID 11574291) is 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2[C@H](O)[C@@H]3C[C@H]2[C@@H](OCc2ccccc2)[C@@H]3CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DPUVDXPFUIEAML-TYENPDHQSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-11-8-22(20(26)21-19(11)25)16-14-7-13(17(16)24)15(9-23)18(14)27-10-12-5-3-2-4-6-12/h2-6,8,13-18,23-24H,7,9-10H2,1H3,(H,21,25,26)/t13-,14-,15-,16-,17-,18-/m1/s1.
What are the key properties of 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione?
1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 372.42 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,3R,4R,5S,6R)-3-hydroxy-5-(hydroxymethyl)-6-phenylmethoxy-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11574291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).