5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione

C9H12N2O3 — CID 171384453

IUPAC5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C2CCCC2O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-5(7)6-4-10-9(14)11-8(6)13/h4-5,7,12H,1-3H2,(H2,10,11,13,14)
InChIKeyWRSJRQLSNJYJSO-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.31
Rot. Bonds1

About 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione

5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione (PubChem CID 171384453) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione
PubChem CID171384453
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C2CCCC2O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-5(7)6-4-10-9(14)11-8(6)13/h4-5,7,12H,1-3H2,(H2,10,11,13,14)
InChIKeyWRSJRQLSNJYJSO-UHFFFAOYSA-N
XLogP-0.31
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione (CID 171384453) is 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C2CCCC2O)c(=O)[nH]1.
What is the InChIKey of 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WRSJRQLSNJYJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7-3-1-2-5(7)6-4-10-9(14)11-8(6)13/h4-5,7,12H,1-3H2,(H2,10,11,13,14).
What are the key properties of 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione?
5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxycyclopentyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 171384453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).