5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione

C16H18N2O4 — CID 54768279

IUPAC5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](OCc3ccccc3)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O4/c1-11-8-18(16(20)17-15(11)19)14-7-13(10-22-14)21-9-12-5-3-2-4-6-12/h2-6,8,13-14H,7,9-10H2,1H3,(H,17,19,20)/t13-,14-/m1/s1
InChIKeyCAHMEZRWUHGMSO-ZIAGYGMSSA-N
MW302.33 g/mol
LogP1.35
Rot. Bonds4

About 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione

5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 54768279) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID54768279
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](OCc3ccccc3)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O4/c1-11-8-18(16(20)17-15(11)19)14-7-13(10-22-14)21-9-12-5-3-2-4-6-12/h2-6,8,13-14H,7,9-10H2,1H3,(H,17,19,20)/t13-,14-/m1/s1
InChIKeyCAHMEZRWUHGMSO-ZIAGYGMSSA-N
XLogP1.35
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4S,5R)-4-deuterio-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11037272
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
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
bis(3-methylbutyl) (2S)-2-[[[(3R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl-phenoxyphosphoryl]amino]butanedioate
CID 122667164
1-[(2R,3aR,6R,6aR)-3a,6-bis(phenylmethoxy)-2,3,6,6a-tetrahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10837093
5-methyl-1-[(1S,3S,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 15374268
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
5-methyl-1-[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]pyrimidine-2,4-dione
CID 52944921
5-methyl-1-[(5S)-5-(phenylmethoxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 139721718
[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]oxolan-3-yl] acetate
CID 11204782
5-methyl-1-[(1R,3R,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 135235523

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 54768279) is 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione is Cc1cn([C@H]2C[C@@H](OCc3ccccc3)CO2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is CAHMEZRWUHGMSO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-8-18(16(20)17-15(11)19)14-7-13(10-22-14)21-9-12-5-3-2-4-6-12/h2-6,8,13-14H,7,9-10H2,1H3,(H,17,19,20)/t13-,14-/m1/s1.
What are the key properties of 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2R,4R)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 54768279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).