1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

C11H16N2O5 — CID 6400287

IUPAC1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](CO)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-5-3-13(11(18)12-10(5)17)7-2-6(4-14)8(15)9(7)16/h3,6-9,14-16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8?,9?/m1/s1
InChIKeyOHFMYSNQKZBRNM-PZYMCFGQSA-N
MW256.26 g/mol
LogP-1.88
Rot. Bonds2

About 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione

1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 6400287) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID6400287
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](CO)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-5-3-13(11(18)12-10(5)17)7-2-6(4-14)8(15)9(7)16/h3,6-9,14-16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8?,9?/m1/s1
InChIKeyOHFMYSNQKZBRNM-PZYMCFGQSA-N
XLogP-1.88
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 110153692
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
CID 155579064
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102420692
1-[(1R,2R,3R,4S)-2,3-dihydroxy-4-[[[(1S)-1-phenylethyl]amino]methyl]cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 110154034
1-[2-(1-hydroxybutyl)-3-(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione
CID 67910694
5-[[(1R,2S,3S,4S)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 110158343
1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate
CID 19047313
1-[(1R,4R)-3-(18F)fluoro-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 158344832
1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-5-iodopyrimidine-2,4-dione
CID 18950462

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (CID 6400287) is 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2C[C@H](CO)C(O)C2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is OHFMYSNQKZBRNM-PZYMCFGQSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-5-3-13(11(18)12-10(5)17)7-2-6(4-14)8(15)9(7)16/h3,6-9,14-16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8?,9?/m1/s1.
What are the key properties of 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 6400287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).