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

C11H16N2O4 — CID 11593901

IUPAC1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC[C@H](O)[C@H]2CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-6-4-13(11(17)12-10(6)16)8-2-3-9(15)7(8)5-14/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9-/m0/s1
InChIKeyXGMIBMMXGALDMR-CIUDSAMLSA-N
MW240.26 g/mol
LogP-0.85
Rot. Bonds2

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

1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 11593901) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID11593901
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC[C@H](O)[C@H]2CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-6-4-13(11(17)12-10(6)16)8-2-3-9(15)7(8)5-14/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9-/m0/s1
InChIKeyXGMIBMMXGALDMR-CIUDSAMLSA-N
XLogP-0.85
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (CID 11593901) is 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CC[C@H](O)[C@H]2CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is XGMIBMMXGALDMR-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-4-13(11(17)12-10(6)16)8-2-3-9(15)7(8)5-14/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9-/m0/s1.
What are the key properties of 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,3S)-3-hydroxy-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11593901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).