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

C9H13N3O3 — CID 138975124

IUPAC1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNC[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-5-4-12(9(15)11-8(5)14)6-2-10-3-7(6)13/h4,6-7,10,13H,2-3H2,1H3,(H,11,14,15)/t6?,7-/m1/s1
InChIKeyOECBKIWKIALCNH-COBSHVIPSA-N
MW211.22 g/mol
LogP-1.65
Rot. Bonds1

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

1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 138975124) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID138975124
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNC[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-5-4-12(9(15)11-8(5)14)6-2-10-3-7(6)13/h4,6-7,10,13H,2-3H2,1H3,(H,11,14,15)/t6?,7-/m1/s1
InChIKeyOECBKIWKIALCNH-COBSHVIPSA-N
XLogP-1.65
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 51050699
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 110153692
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 133065275
[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate
CID 19047313
5-methyl-1-piperidin-3-ylpyrimidine-2,4-dione
CID 51050595
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione (CID 138975124) is 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CNC[C@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is OECBKIWKIALCNH-COBSHVIPSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-4-12(9(15)11-8(5)14)6-2-10-3-7(6)13/h4,6-7,10,13H,2-3H2,1H3,(H,11,14,15)/t6?,7-/m1/s1.
What are the key properties of 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 138975124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).