6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione

C9H14IN3O4 — CID 155511213

IUPAC6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESCN(Cc1[nH]c(=O)[nH]c(=O)c1I)CC(O)CO
InChIInChI=1S/C9H14IN3O4/c1-13(2-5(15)4-14)3-6-7(10)8(16)12-9(17)11-6/h5,14-15H,2-4H2,1H3,(H2,11,12,16,17)
InChIKeyMWLSVAIYCAMUSK-UHFFFAOYSA-N
MW355.13 g/mol
LogP-1.55
Rot. Bonds5

About 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione

6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione (PubChem CID 155511213) has the molecular formula C9H14IN3O4 and a molecular weight of 355.13 g/mol. Its IUPAC name is 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione
PubChem CID155511213
Molecular FormulaC9H14IN3O4
Molecular Weight355.13 g/mol
Exact Mass355.00
IUPAC Name6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESCN(Cc1[nH]c(=O)[nH]c(=O)c1I)CC(O)CO
InChIInChI=1S/C9H14IN3O4/c1-13(2-5(15)4-14)3-6-7(10)8(16)12-9(17)11-6/h5,14-15H,2-4H2,1H3,(H2,11,12,16,17)
InChIKeyMWLSVAIYCAMUSK-UHFFFAOYSA-N
XLogP-1.55
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-[(2,3-dihydroxypropylamino)methyl]-1H-pyrimidine-2,4-dione
CID 155530666
6-[(2,3-dihydroxypropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
CID 155535389
3-{2-[(2,3-dihydroxypropyl)(methyl)amino]ethyl}-6-methylpyrimidine-2,4(1H,3H)-dione
CID 91843261
3-(2,3-dihydroxypropyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 46705637
6-[(2,3-Dihydroxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 66170573
6-Amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 66176069
6-Amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione
CID 66176489
6-Amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 66176927
6-Amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 66177974
3-[2-[[(2R)-2,3-dihydroxypropyl]-methylamino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124906650
3-[2-[[(2S)-2,3-dihydroxypropyl]-methylamino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124906651

Frequently Asked Questions

What is the IUPAC name of 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione (CID 155511213) is 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione is CN(Cc1[nH]c(=O)[nH]c(=O)c1I)CC(O)CO.
What is the InChIKey of 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The InChIKey is MWLSVAIYCAMUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O4/c1-13(2-5(15)4-14)3-6-7(10)8(16)12-9(17)11-6/h5,14-15H,2-4H2,1H3,(H2,11,12,16,17).
What are the key properties of 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione?
6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione has a molecular weight of 355.13 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-5-iodo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155511213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).