1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione

C15H23N3O3 — CID 133065275

IUPAC1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CN(C3CCCCC3)C[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O3/c1-10-7-18(15(21)16-14(10)20)12-8-17(9-13(12)19)11-5-3-2-4-6-11/h7,11-13,19H,2-6,8-9H2,1H3,(H,16,20,21)/t12-,13-/m0/s1
InChIKeyKEDZGUOIUMRHSD-STQMWFEESA-N
MW293.37 g/mol
LogP0.40
Rot. Bonds2

About 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione

1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 133065275) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID133065275
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CN(C3CCCCC3)C[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O3/c1-10-7-18(15(21)16-14(10)20)12-8-17(9-13(12)19)11-5-3-2-4-6-11/h7,11-13,19H,2-6,8-9H2,1H3,(H,16,20,21)/t12-,13-/m0/s1
InChIKeyKEDZGUOIUMRHSD-STQMWFEESA-N
XLogP0.40
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 138975124
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
[(1R,2R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)cycloheptyl]oxymethylphosphonic acid
CID 10687989
5-methyl-1-piperidin-3-ylpyrimidine-2,4-dione
CID 51050595
(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 11356875
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 51050699
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione (CID 133065275) is 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CN(C3CCCCC3)C[C@@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KEDZGUOIUMRHSD-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-7-18(15(21)16-14(10)20)12-8-17(9-13(12)19)11-5-3-2-4-6-11/h7,11-13,19H,2-6,8-9H2,1H3,(H,16,20,21)/t12-,13-/m0/s1.
What are the key properties of 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 293.37 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 133065275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).