5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine

C10H15BrClN3 — CID 131123171

IUPAC5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C(C)(C)CCl)ncc1Br
InChIInChI=1S/C10H15BrClN3/c1-7-8(11)5-13-9(14-7)15(4)10(2,3)6-12/h5H,6H2,1-4H3
InChIKeyBJKKODGTYPOFMV-UHFFFAOYSA-N
MW292.61 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine

5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 131123171) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine
PubChem CID131123171
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C(C)(C)CCl)ncc1Br
InChIInChI=1S/C10H15BrClN3/c1-7-8(11)5-13-9(14-7)15(4)10(2,3)6-12/h5H,6H2,1-4H3
InChIKeyBJKKODGTYPOFMV-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine (CID 131123171) is 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine is Cc1nc(N(C)C(C)(C)CCl)ncc1Br.
What is the InChIKey of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is BJKKODGTYPOFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3/c1-7-8(11)5-13-9(14-7)15(4)10(2,3)6-12/h5H,6H2,1-4H3.
What are the key properties of 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine?
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 292.61 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 131123171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).