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

C11H16N2O3 — CID 5323732

IUPAC1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CCC[C@@H]2CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-7-5-13(11(16)12-10(7)15)9-4-2-3-8(9)6-14/h5,8-9,14H,2-4,6H2,1H3,(H,12,15,16)/t8-,9-/m1/s1
InChIKeyLSNQBPUPXVEIAL-RKDXNWHRSA-N
MW224.26 g/mol
LogP0.18
Rot. Bonds2

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

1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 5323732) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID5323732
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CCC[C@@H]2CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-7-5-13(11(16)12-10(7)15)9-4-2-3-8(9)6-14/h5,8-9,14H,2-4,6H2,1H3,(H,12,15,16)/t8-,9-/m1/s1
InChIKeyLSNQBPUPXVEIAL-RKDXNWHRSA-N
XLogP0.18
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione
CID 294628
Carbocyclic-3'-deoxythymidine
CID 451901
1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-iodo-pyrimidine-2,4-dione
CID 3012015
1-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione
CID 489843
1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione
CID 489842
1-(3-Hydroxymethyl-cyclohexyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 5273918
1-[2-(Hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 15279867
1-[3-(Aminomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097527
1-[(1R,3S,4S)-3-azido-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione
CID 459907
1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methyl-pyrimidine-2,4-dione
CID 6473737
1-[3-(Hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 271315
1-[3-(Azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097525

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (CID 5323732) is 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2CCC[C@@H]2CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is LSNQBPUPXVEIAL-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-5-13(11(16)12-10(7)15)9-4-2-3-8(9)6-14/h5,8-9,14H,2-4,6H2,1H3,(H,12,15,16)/t8-,9-/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5323732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).