1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione

C9H13N3O4 — CID 66967692

IUPAC1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@H]1O[C@@](N)(n2ccc(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C9H13N3O4/c1-5-6(13)4-9(10,16-5)12-3-2-7(14)11-8(12)15/h2-3,5-6,13H,4,10H2,1H3,(H,11,14,15)/t5-,6+,9+/m1/s1
InChIKeyYVOMDINUDJKQBQ-JHEQGTHGSA-N
MW227.22 g/mol
LogP-1.72
Rot. Bonds1

About 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 66967692) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID66967692
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@H]1O[C@@](N)(n2ccc(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C9H13N3O4/c1-5-6(13)4-9(10,16-5)12-3-2-7(14)11-8(12)15/h2-3,5-6,13H,4,10H2,1H3,(H,11,14,15)/t5-,6+,9+/m1/s1
InChIKeyYVOMDINUDJKQBQ-JHEQGTHGSA-N
XLogP-1.72
TPSA110.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 66967692) is 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione is C[C@H]1O[C@@](N)(n2ccc(=O)[nH]c2=O)C[C@@H]1O.
What is the InChIKey of 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is YVOMDINUDJKQBQ-JHEQGTHGSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5-6(13)4-9(10,16-5)12-3-2-7(14)11-8(12)15/h2-3,5-6,13H,4,10H2,1H3,(H,11,14,15)/t5-,6+,9+/m1/s1.
What are the key properties of 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 227.22 g/mol, XLogP of -1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 66967692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).