1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride

C10H16ClN5 — CID 88517074

IUPAC1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride
SMILESCCn1cc[n+](C)c1.Nc1ncccn1.[Cl-]
InChIInChI=1S/C6H11N2.C4H5N3.ClH/c1-3-8-5-4-7(2)6-8;5-4-6-2-1-3-7-4;/h4-6H,3H2,1-2H3;1-3H,(H2,5,6,7);1H/q+1;;/p-1
InChIKeyDHSVAIPEVIOCTA-UHFFFAOYSA-M
MW241.73 g/mol
LogP-2.60
Rot. Bonds1

About 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride

1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride (PubChem CID 88517074) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride
PubChem CID88517074
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride
SMILESCCn1cc[n+](C)c1.Nc1ncccn1.[Cl-]
InChIInChI=1S/C6H11N2.C4H5N3.ClH/c1-3-8-5-4-7(2)6-8;5-4-6-2-1-3-7-4;/h4-6H,3H2,1-2H3;1-3H,(H2,5,6,7);1H/q+1;;/p-1
InChIKeyDHSVAIPEVIOCTA-UHFFFAOYSA-M
XLogP-2.60
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
CID 87529717
CID 87529717
tris(1-ethyl-3-methylimidazol-3-ium);phosphite
CID 140574396
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
dicyanoboranuide;1-ethyl-3-methylimidazol-3-ium
CID 173491123
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
azane;1-ethyl-3-methylimidazol-3-ium;oxalonitrile
CID 175296554
1-ethyl-3-methylimidazol-3-ium;1H-imidazole;chloride;hydrochloride
CID 174881493
1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
CID 173195338
sodium;cyanocyanamide;1-ethyl-3-methylimidazol-3-ium;dichloride;hydrochloride
CID 175312024
(2S)-2-aminopropanoic acid;1-ethyl-3-methylimidazol-3-ium
CID 87299363

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride (CID 88517074) is 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride is CCn1cc[n+](C)c1.Nc1ncccn1.[Cl-].
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride?
The InChIKey is DHSVAIPEVIOCTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N2.C4H5N3.ClH/c1-3-8-5-4-7(2)6-8;5-4-6-2-1-3-7-4;/h4-6H,3H2,1-2H3;1-3H,(H2,5,6,7);1H/q+1;;/p-1.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride?
1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride has a molecular weight of 241.73 g/mol, XLogP of -2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride is sourced from PubChem (CID 88517074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).