7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium

C10H10IN2+ — CID 2303351

IUPAC7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc(C)[n+]2cc(I)ccc2n1
InChIInChI=1S/C10H10IN2/c1-7-5-8(2)13-6-9(11)3-4-10(13)12-7/h3-6H,1-2H3/q+1
InChIKeyXWPRQWYAVTZBNY-UHFFFAOYSA-N
MW285.11 g/mol
LogP2.04
Rot. Bonds

About 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium

7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium (PubChem CID 2303351) has the molecular formula C10H10IN2+ and a molecular weight of 285.11 g/mol. Its IUPAC name is 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium.

Molecular Properties

Compound Name7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
PubChem CID2303351
Molecular FormulaC10H10IN2+
Molecular Weight285.11 g/mol
Exact Mass284.99
IUPAC Name7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc(C)[n+]2cc(I)ccc2n1
InChIInChI=1S/C10H10IN2/c1-7-5-8(2)13-6-9(11)3-4-10(13)12-7/h3-6H,1-2H3/q+1
InChIKeyXWPRQWYAVTZBNY-UHFFFAOYSA-N
XLogP2.04
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 126959837
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CID 10105065
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
CID 4992211
1,2,4,6-tetramethylpyrimidin-1-ium
CID 3774525
1,4-diiodobenzene;1,3,5-triiodobenzene
CID 19861513
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CID 62201802
4,6-dimethylpyrimidin-1-ium-1,2-diamine
CID 22220794
2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine
CID 101475098
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
1-(4-iodophenyl)-3-methylisoquinoline
CID 19601654
6-iodo-4-methoxy-2-methylquinoline
CID 82581194
2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
CID 114219747

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
The IUPAC name of 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium (CID 2303351) is 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium.
What is the SMILES notation for 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
The canonical SMILES for 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium is Cc1cc(C)[n+]2cc(I)ccc2n1.
What is the InChIKey of 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
The InChIKey is XWPRQWYAVTZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN2/c1-7-5-8(2)13-6-9(11)3-4-10(13)12-7/h3-6H,1-2H3/q+1.
What are the key properties of 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium has a molecular weight of 285.11 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium is sourced from PubChem (CID 2303351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).