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

C11H16N2O3 — CID 15509786

IUPAC1-[(1S,2R)-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-/m0/s1
InChIKeyLSNQBPUPXVEIAL-IUCAKERBSA-N
MW224.26 g/mol
LogP0.18
Rot. Bonds2

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

1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 15509786) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID15509786
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[(1S,2R)-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-/m0/s1
InChIKeyLSNQBPUPXVEIAL-IUCAKERBSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione (CID 15509786) is 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,2R)-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-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is LSNQBPUPXVEIAL-IUCAKERBSA-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-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[(1S,2R)-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-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15509786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).