5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione

C12H18N2O3 — CID 114542387

IUPAC5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCC(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-3-9-10(15)13-12(17)14(11(9)16)8-5-4-7(2)6-8/h7-8,16H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyCAJAJDXIJAOBQN-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.17
Rot. Bonds2

About 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione (PubChem CID 114542387) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
PubChem CID114542387
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCC(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-3-9-10(15)13-12(17)14(11(9)16)8-5-4-7(2)6-8/h7-8,16H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyCAJAJDXIJAOBQN-UHFFFAOYSA-N
XLogP1.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione (CID 114542387) is 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione is CCc1c(O)n(C2CCC(C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione?
The InChIKey is CAJAJDXIJAOBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-9-10(15)13-12(17)14(11(9)16)8-5-4-7(2)6-8/h7-8,16H,3-6H2,1-2H3,(H,13,15,17).
What are the key properties of 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione is sourced from PubChem (CID 114542387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).