1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione

C11H16N2O5 — CID 100947362

IUPAC1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CC[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O5/c14-6-9-8(15)5-7(18-9)1-3-13-4-2-10(16)12-11(13)17/h2,4,7-9,14-15H,1,3,5-6H2,(H,12,16,17)/t7-,8-,9+/m0/s1
InChIKeyNMJRMWDGQGMNKD-XHNCKOQMSA-N
MW256.26 g/mol
LogP-1.56
Rot. Bonds4

About 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione

1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 100947362) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione
PubChem CID100947362
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CC[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O5/c14-6-9-8(15)5-7(18-9)1-3-13-4-2-10(16)12-11(13)17/h2,4,7-9,14-15H,1,3,5-6H2,(H,12,16,17)/t7-,8-,9+/m0/s1
InChIKeyNMJRMWDGQGMNKD-XHNCKOQMSA-N
XLogP-1.56
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione
CID 44579112
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
1-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10801040
3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 108788659
1-[(2R,3R,5R,6S,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)oxepan-2-yl]pyrimidine-2,4-dione
CID 58940419
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
[(3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 174149552
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione (CID 100947362) is 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione is O=c1ccn(CC[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is NMJRMWDGQGMNKD-XHNCKOQMSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-6-9-8(15)5-7(18-9)1-3-13-4-2-10(16)12-11(13)17/h2,4,7-9,14-15H,1,3,5-6H2,(H,12,16,17)/t7-,8-,9+/m0/s1.
What are the key properties of 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione?
1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 100947362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).