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

C7H10IN3O2 — CID 155513597

IUPAC6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESCN(C)Cc1[nH]c(=O)[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-11(2)3-4-5(8)6(12)10-7(13)9-4/h3H2,1-2H3,(H2,9,10,12,13)
InChIKeyDMZAJIRJHCRTQY-UHFFFAOYSA-N
MW295.08 g/mol
LogP-0.27
Rot. Bonds2

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

6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione (PubChem CID 155513597) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
PubChem CID155513597
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESCN(C)Cc1[nH]c(=O)[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-11(2)3-4-5(8)6(12)10-7(13)9-4/h3H2,1-2H3,(H2,9,10,12,13)
InChIKeyDMZAJIRJHCRTQY-UHFFFAOYSA-N
XLogP-0.27
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-6-methyluracil
CID 319986
5-Amino-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 57357509
5-(Dimethylamino)-6-methylpyrimidine-2,4-diol
CID 717730
6-[(dipropylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
CID 155562020
6-Methyl-5-(methylamino)-2,4(1H,3H)-pyrimidinedione
CID 55255935
AB-323/25048145
CID 816935
5-Iodo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
CID 10923939
5-Ethylamino-6-methyluracil
CID 129879518
6-(Dimethylaminomethyl)uracil
CID 14326885
6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 21286215
6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
CID 54314079
5-Amino-1,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 57354842

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione (CID 155513597) is 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione is CN(C)Cc1[nH]c(=O)[nH]c(=O)c1I.
What is the InChIKey of 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The InChIKey is DMZAJIRJHCRTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c1-11(2)3-4-5(8)6(12)10-7(13)9-4/h3H2,1-2H3,(H2,9,10,12,13).
What are the key properties of 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione has a molecular weight of 295.08 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155513597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).