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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Related Compounds

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(2-methylpropyl)oxolan-1-ium-2-yl]pyrimidine-2,4-dione
CID 163828452
1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145078336
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
CID 172580649
1-[(2R,4S)-4-(methylsulfonylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70364906
ethyl (4S)-4-(2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate
CID 40596145
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane
CID 170928344
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
1-[(2R,3R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 135134474
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59504113

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).