1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione

C10H14N2O3 — CID 10608507

IUPAC1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2CCCC[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(8)12-6-5-9(14)11-10(12)15/h5-8,13H,1-4H2,(H,11,14,15)/t7-,8+/m0/s1
InChIKeyYRNJOISSQLETFU-JGVFFNPUSA-N
MW210.23 g/mol
LogP0.01
Rot. Bonds1

About 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione

1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione (PubChem CID 10608507) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione
PubChem CID10608507
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2CCCC[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(8)12-6-5-9(14)11-10(12)15/h5-8,13H,1-4H2,(H,11,14,15)/t7-,8+/m0/s1
InChIKeyYRNJOISSQLETFU-JGVFFNPUSA-N
XLogP0.01
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-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-hydroxycyclohexyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione (CID 10608507) is 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione is O=c1ccn([C@H]2CCCC[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione?
The InChIKey is YRNJOISSQLETFU-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(8)12-6-5-9(14)11-10(12)15/h5-8,13H,1-4H2,(H,11,14,15)/t7-,8+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione?
1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10608507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).