1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione

C13H20N2O2 — CID 138660104

IUPAC1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione
SMILESCC(C)C[C@@H]1CCC(n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C13H20N2O2/c1-9(2)7-10-3-4-11(8-10)15-6-5-12(16)14-13(15)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,14,16,17)/t10-,11?/m0/s1
InChIKeyWAGOZIJJFDGKHK-VUWPPUDQSA-N
MW236.31 g/mol
LogP1.92
Rot. Bonds3

About 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione

1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione (PubChem CID 138660104) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione
PubChem CID138660104
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione
SMILESCC(C)C[C@@H]1CCC(n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C13H20N2O2/c1-9(2)7-10-3-4-11(8-10)15-6-5-12(16)14-13(15)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,14,16,17)/t10-,11?/m0/s1
InChIKeyWAGOZIJJFDGKHK-VUWPPUDQSA-N
XLogP1.92
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione (CID 138660104) is 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione is CC(C)C[C@@H]1CCC(n2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione?
The InChIKey is WAGOZIJJFDGKHK-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)7-10-3-4-11(8-10)15-6-5-12(16)14-13(15)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,14,16,17)/t10-,11?/m0/s1.
What are the key properties of 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione?
1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methylpropyl)cyclopentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 138660104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).