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

C11H16N2O5 — CID 10106440

IUPAC1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CO)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-8(15)7(4-14)5-18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9+/m0/s1
InChIKeyKQFCHSQISLOKPM-XHNCKOQMSA-N
MW256.26 g/mol
LogP-1.27
Rot. Bonds2

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

1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 10106440) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID10106440
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CO)CO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-8(15)7(4-14)5-18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9+/m0/s1
InChIKeyKQFCHSQISLOKPM-XHNCKOQMSA-N
XLogP-1.27
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
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-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione (CID 10106440) is 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](CO)CO2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KQFCHSQISLOKPM-XHNCKOQMSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-8(15)7(4-14)5-18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9+/m0/s1.
What are the key properties of 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10106440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).