6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione

C10H15IN2O6 — CID 89260428

IUPAC6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCC(O[C@H](CO)C(O)CO)n1c(I)cc(=O)[nH]c1=O
InChIInChI=1S/C10H15IN2O6/c1-5(19-7(4-15)6(16)3-14)13-8(11)2-9(17)12-10(13)18/h2,5-7,14-16H,3-4H2,1H3,(H,12,17,18)/t5?,6?,7-/m1/s1
InChIKeyOIHRJJIWZJDTNE-KPGICGJXSA-N
MW386.14 g/mol
LogP-1.61
Rot. Bonds6

About 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione

6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 89260428) has the molecular formula C10H15IN2O6 and a molecular weight of 386.14 g/mol. Its IUPAC name is 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
PubChem CID89260428
Molecular FormulaC10H15IN2O6
Molecular Weight386.14 g/mol
Exact Mass386.00
IUPAC Name6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESCC(O[C@H](CO)C(O)CO)n1c(I)cc(=O)[nH]c1=O
InChIInChI=1S/C10H15IN2O6/c1-5(19-7(4-15)6(16)3-14)13-8(11)2-9(17)12-10(13)18/h2,5-7,14-16H,3-4H2,1H3,(H,12,17,18)/t5?,6?,7-/m1/s1
InChIKeyOIHRJJIWZJDTNE-KPGICGJXSA-N
XLogP-1.61
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.14
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione (CID 89260428) is 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione is CC(O[C@H](CO)C(O)CO)n1c(I)cc(=O)[nH]c1=O.
What is the InChIKey of 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is OIHRJJIWZJDTNE-KPGICGJXSA-N. The full InChI is InChI=1S/C10H15IN2O6/c1-5(19-7(4-15)6(16)3-14)13-8(11)2-9(17)12-10(13)18/h2,5-7,14-16H,3-4H2,1H3,(H,12,17,18)/t5?,6?,7-/m1/s1.
What are the key properties of 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 386.14 g/mol, XLogP of -1.61, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 89260428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).