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

C10H10BrN2+ — CID 673387

IUPAC7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc(C)[n+]2cc(Br)ccc2n1
InChIInChI=1S/C10H10BrN2/c1-7-5-8(2)13-6-9(11)3-4-10(13)12-7/h3-6H,1-2H3/q+1
InChIKeyBWCWQKXZGFRWCN-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.20
Rot. Bonds

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

7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium (PubChem CID 673387) has the molecular formula C10H10BrN2+ and a molecular weight of 238.11 g/mol. Its IUPAC name is 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium.

Molecular Properties

Compound Name7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
PubChem CID673387
Molecular FormulaC10H10BrN2+
Molecular Weight238.11 g/mol
Exact Mass237.00
IUPAC Name7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc(C)[n+]2cc(Br)ccc2n1
InChIInChI=1S/C10H10BrN2/c1-7-5-8(2)13-6-9(11)3-4-10(13)12-7/h3-6H,1-2H3/q+1
InChIKeyBWCWQKXZGFRWCN-UHFFFAOYSA-N
XLogP2.20
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
The IUPAC name of 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium (CID 673387) is 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium.
What is the SMILES notation for 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
The canonical SMILES for 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium is Cc1cc(C)[n+]2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
The InChIKey is BWCWQKXZGFRWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN2/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-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium?
7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium has a molecular weight of 238.11 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium is sourced from PubChem (CID 673387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).