(5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride

C7H11BrClN3 — CID 178084572

IUPAC(5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride
SMILESCc1nc(CN)nc(C)c1Br.Cl
InChIInChI=1S/C7H10BrN3.ClH/c1-4-7(8)5(2)11-6(3-9)10-4;/h3,9H2,1-2H3;1H
InChIKeyVCIWBOMHQXKGEQ-UHFFFAOYSA-N
MW252.54 g/mol
LogP1.74
Rot. Bonds1

About (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride

(5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride (PubChem CID 178084572) has the molecular formula C7H11BrClN3 and a molecular weight of 252.54 g/mol. Its IUPAC name is (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride
PubChem CID178084572
Molecular FormulaC7H11BrClN3
Molecular Weight252.54 g/mol
Exact Mass250.98
IUPAC Name(5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride
SMILESCc1nc(CN)nc(C)c1Br.Cl
InChIInChI=1S/C7H10BrN3.ClH/c1-4-7(8)5(2)11-6(3-9)10-4;/h3,9H2,1-2H3;1H
InChIKeyVCIWBOMHQXKGEQ-UHFFFAOYSA-N
XLogP1.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.54
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride (CID 178084572) is (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride is Cc1nc(CN)nc(C)c1Br.Cl.
What is the InChIKey of (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
The InChIKey is VCIWBOMHQXKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3.ClH/c1-4-7(8)5(2)11-6(3-9)10-4;/h3,9H2,1-2H3;1H.
What are the key properties of (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
(5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride has a molecular weight of 252.54 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 178084572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).