1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C11H16N2O5 — CID 15956272

IUPAC1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CC(CO)(CO)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-7-3-13(10(17)12-9(7)16)8-2-11(4-14,5-15)6-18-8/h3,8,14-15H,2,4-6H2,1H3,(H,12,16,17)/t8-/m0/s1
InChIKeyHLCAGAYOSNTGIF-QMMMGPOBSA-N
MW256.26 g/mol
LogP-1.27
Rot. Bonds3

About 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 15956272) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID15956272
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2CC(CO)(CO)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-7-3-13(10(17)12-9(7)16)8-2-11(4-14,5-15)6-18-8/h3,8,14-15H,2,4-6H2,1H3,(H,12,16,17)/t8-/m0/s1
InChIKeyHLCAGAYOSNTGIF-QMMMGPOBSA-N
XLogP-1.27
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 15956272) is 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2CC(CO)(CO)CO2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HLCAGAYOSNTGIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7-3-13(10(17)12-9(7)16)8-2-11(4-14,5-15)6-18-8/h3,8,14-15H,2,4-6H2,1H3,(H,12,16,17)/t8-/m0/s1.
What are the key properties of 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15956272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).