5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione

C8H12IN2O2- — CID 163432716

IUPAC5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione
SMILESCc1cn([I-]C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12IN2O2/c1-5(2)9-11-4-6(3)7(12)10-8(11)13/h4-5H,1-3H3,(H,10,12,13)/q-1
InChIKeyDYDPHADPWMLFKP-UHFFFAOYSA-N
MW295.10 g/mol
LogP-2.89
Rot. Bonds2

About 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione

5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione (PubChem CID 163432716) has the molecular formula C8H12IN2O2- and a molecular weight of 295.10 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione
PubChem CID163432716
Molecular FormulaC8H12IN2O2-
Molecular Weight295.10 g/mol
Exact Mass294.99
IUPAC Name5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione
SMILESCc1cn([I-]C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12IN2O2/c1-5(2)9-11-4-6(3)7(12)10-8(11)13/h4-5H,1-3H3,(H,10,12,13)/q-1
InChIKeyDYDPHADPWMLFKP-UHFFFAOYSA-N
XLogP-2.89
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 5-2.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260
5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
CID 69344214
5-methyl-1-[(2S)-2,4,4-trimethylpentyl]pyrimidine-2,4-dione
CID 170680091
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
CID 139627493
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 101070065
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione (CID 163432716) is 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione is Cc1cn([I-]C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione?
The InChIKey is DYDPHADPWMLFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN2O2/c1-5(2)9-11-4-6(3)7(12)10-8(11)13/h4-5H,1-3H3,(H,10,12,13)/q-1.
What are the key properties of 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione?
5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione has a molecular weight of 295.10 g/mol, XLogP of -2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione is sourced from PubChem (CID 163432716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).