5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione

C12H18N2O3 — CID 57010608

IUPAC5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(c1c(O)[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-7(8-5-3-2-4-6-8)9-10(15)13-12(17)14-11(9)16/h7-8H,2-6H2,1H3,(H3,13,14,15,16,17)
InChIKeyRVOGHENYOFGMFJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.45
Rot. Bonds2

About 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione

5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 57010608) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID57010608
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(c1c(O)[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-7(8-5-3-2-4-6-8)9-10(15)13-12(17)14-11(9)16/h7-8H,2-6H2,1H3,(H3,13,14,15,16,17)
InChIKeyRVOGHENYOFGMFJ-UHFFFAOYSA-N
XLogP1.45
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione (CID 57010608) is 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione is CC(c1c(O)[nH]c(=O)[nH]c1=O)C1CCCCC1.
What is the InChIKey of 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is RVOGHENYOFGMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(8-5-3-2-4-6-8)9-10(15)13-12(17)14-11(9)16/h7-8H,2-6H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 57010608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).