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

C10H13FN2O4 — CID 515104

IUPAC1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-4-3-13(10(16)12-8(4)15)9-6(11)7(14)5(2)17-9/h3,5-7,9,14H,1-2H3,(H,12,15,16)/t5-,6+,7-,9-/m1/s1
InChIKeyMSKVIXDVIHZATN-JVZYCSMKSA-N
MW244.22 g/mol
LogP-0.54
Rot. Bonds1

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

1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 515104) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID515104
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-4-3-13(10(16)12-8(4)15)9-6(11)7(14)5(2)17-9/h3,5-7,9,14H,1-2H3,(H,12,15,16)/t5-,6+,7-,9-/m1/s1
InChIKeyMSKVIXDVIHZATN-JVZYCSMKSA-N
XLogP-0.54
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 515104) is 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is MSKVIXDVIHZATN-JVZYCSMKSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-4-3-13(10(16)12-8(4)15)9-6(11)7(14)5(2)17-9/h3,5-7,9,14H,1-2H3,(H,12,15,16)/t5-,6+,7-,9-/m1/s1.
What are the key properties of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 244.22 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 515104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).