5-iodo-1-pentylpyrimidine-2,4-dione

C9H13IN2O2 — CID 79784699

IUPAC5-iodo-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C9H13IN2O2/c1-2-3-4-5-12-6-7(10)8(13)11-9(12)14/h6H,2-5H2,1H3,(H,11,13,14)
InChIKeyKXVCZNHXUSUEME-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.33
Rot. Bonds4

About 5-iodo-1-pentylpyrimidine-2,4-dione

5-iodo-1-pentylpyrimidine-2,4-dione (PubChem CID 79784699) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 5-iodo-1-pentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-pentylpyrimidine-2,4-dione
PubChem CID79784699
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name5-iodo-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C9H13IN2O2/c1-2-3-4-5-12-6-7(10)8(13)11-9(12)14/h6H,2-5H2,1H3,(H,11,13,14)
InChIKeyKXVCZNHXUSUEME-UHFFFAOYSA-N
XLogP1.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-octylpyrimidine-2,4-dione
CID 55237695
5-iodo-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 115519719
5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
CID 113427652
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
5-(3-methylthiophen-2-yl)-1-pentylpyrimidine-2,4-dione
CID 58994211
1-butyl-2,4-dioxopyrimidine-5-carbaldehyde
CID 58592842
5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione
CID 56691439
1-(3,4-dihydroxybutyl)-5-iodopyrimidine-2,4-dione
CID 58979936
5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione
CID 131007523
3-iodo-1-pentylpyridin-2-one
CID 79785003
5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 82882692
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-pentylpyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-pentylpyrimidine-2,4-dione (CID 79784699) is 5-iodo-1-pentylpyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-pentylpyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-pentylpyrimidine-2,4-dione is CCCCCn1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of 5-iodo-1-pentylpyrimidine-2,4-dione?
The InChIKey is KXVCZNHXUSUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c1-2-3-4-5-12-6-7(10)8(13)11-9(12)14/h6H,2-5H2,1H3,(H,11,13,14).
What are the key properties of 5-iodo-1-pentylpyrimidine-2,4-dione?
5-iodo-1-pentylpyrimidine-2,4-dione has a molecular weight of 308.12 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-pentylpyrimidine-2,4-dione is sourced from PubChem (CID 79784699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).