1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione

C11H14N2O3 — CID 14776483

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C=C[C@H](CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-5-13(11(16)12-10(7)15)9-3-2-8(4-9)6-14/h2-3,5,8-9,14H,4,6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1
InChIKeyXKLCOAHIDXDOAE-DTWKUNHWSA-N
MW222.24 g/mol
LogP-0.05
Rot. Bonds2

About 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 14776483) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
PubChem CID14776483
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C=C[C@H](CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-5-13(11(16)12-10(7)15)9-3-2-8(4-9)6-14/h2-3,5,8-9,14H,4,6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1
InChIKeyXKLCOAHIDXDOAE-DTWKUNHWSA-N
XLogP-0.05
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione
CID 23731158
1-[(1S,5S)-4-(deuteriomethyl)-5-hydroxycyclohex-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 89476260
5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 10378633
1-[(1S,2R,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
CID 46186324
1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(4R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134356951
1-[(2R,4S,5R)-1-acetyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-5-methylpyrimidine-2,4-dione
CID 177454956

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (CID 14776483) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2C=C[C@H](CO)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is XKLCOAHIDXDOAE-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-5-13(11(16)12-10(7)15)9-3-2-8(4-9)6-14/h2-3,5,8-9,14H,4,6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14776483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).