1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione

C11H13FN2O3 — CID 11322409

IUPAC1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C=C(F)[C@@H](CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O3/c1-6-4-14(11(17)13-10(6)16)8-2-7(5-15)9(12)3-8/h3-4,7-8,15H,2,5H2,1H3,(H,13,16,17)/t7-,8-/m1/s1
InChIKeyPJXQNYATEYPQCU-HTQZYQBOSA-N
MW240.23 g/mol
LogP0.25
Rot. Bonds2

About 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione

1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11322409) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11322409
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C=C(F)[C@@H](CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O3/c1-6-4-14(11(17)13-10(6)16)8-2-7(5-15)9(12)3-8/h3-4,7-8,15H,2,5H2,1H3,(H,13,16,17)/t7-,8-/m1/s1
InChIKeyPJXQNYATEYPQCU-HTQZYQBOSA-N
XLogP0.25
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (CID 11322409) is 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C=C(F)[C@@H](CO)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is PJXQNYATEYPQCU-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6-4-14(11(17)13-10(6)16)8-2-7(5-15)9(12)3-8/h3-4,7-8,15H,2,5H2,1H3,(H,13,16,17)/t7-,8-/m1/s1.
What are the key properties of 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 240.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11322409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).