1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione

C10H14N2O5 — CID 46874141

IUPAC1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1C1O[C@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14N2O5/c1-4-3-6(13)11-10(16)12(4)9-8(15)7(14)5(2)17-9/h3,5,7-9,14-15H,1-2H3,(H,11,13,16)/t5-,7-,8-,9?/m1/s1
InChIKeyKLEGCJLTDXNAMU-HDPJAJKNSA-N
MW242.23 g/mol
LogP-1.52
Rot. Bonds1

About 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione

1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione (PubChem CID 46874141) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione
PubChem CID46874141
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1C1O[C@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14N2O5/c1-4-3-6(13)11-10(16)12(4)9-8(15)7(14)5(2)17-9/h3,5,7-9,14-15H,1-2H3,(H,11,13,16)/t5-,7-,8-,9?/m1/s1
InChIKeyKLEGCJLTDXNAMU-HDPJAJKNSA-N
XLogP-1.52
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione (CID 46874141) is 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1C1O[C@H](C)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione?
The InChIKey is KLEGCJLTDXNAMU-HDPJAJKNSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-4-3-6(13)11-10(16)12(4)9-8(15)7(14)5(2)17-9/h3,5,7-9,14-15H,1-2H3,(H,11,13,16)/t5-,7-,8-,9?/m1/s1.
What are the key properties of 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione?
1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 46874141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).