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

C10H15N3O3 — CID 51050699

IUPAC1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CNC[C@H](O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-5-13(10(16)12-9(6)15)7-2-8(14)4-11-3-7/h5,7-8,11,14H,2-4H2,1H3,(H,12,15,16)/t7-,8+/m0/s1
InChIKeyIXDWETHWMNXWIN-JGVFFNPUSA-N
MW225.25 g/mol
LogP-1.26
Rot. Bonds1

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

1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 51050699) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID51050699
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CNC[C@H](O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-5-13(10(16)12-9(6)15)7-2-8(14)4-11-3-7/h5,7-8,11,14H,2-4H2,1H3,(H,12,15,16)/t7-,8+/m0/s1
InChIKeyIXDWETHWMNXWIN-JGVFFNPUSA-N
XLogP-1.26
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 138975124
5-methyl-1-piperidin-3-ylpyrimidine-2,4-dione
CID 51050595
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-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(1R,4R)-3-(18F)fluoro-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 158344832
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570
1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100925330
[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate
CID 19047313

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione (CID 51050699) is 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2CNC[C@H](O)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is IXDWETHWMNXWIN-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-5-13(10(16)12-9(6)15)7-2-8(14)4-11-3-7/h5,7-8,11,14H,2-4H2,1H3,(H,12,15,16)/t7-,8+/m0/s1.
What are the key properties of 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 225.25 g/mol, XLogP of -1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 51050699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).