5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine

C10H15BrClN3 — CID 63873646

IUPAC5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine
SMILESCCCCN(CCCl)c1ncc(Br)cn1
InChIInChI=1S/C10H15BrClN3/c1-2-3-5-15(6-4-12)10-13-7-9(11)8-14-10/h7-8H,2-6H2,1H3
InChIKeyRWWJGDJXUMUIGX-UHFFFAOYSA-N
MW292.61 g/mol
LogP3.08
Rot. Bonds6

About 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine

5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine (PubChem CID 63873646) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine
PubChem CID63873646
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine
SMILESCCCCN(CCCl)c1ncc(Br)cn1
InChIInChI=1S/C10H15BrClN3/c1-2-3-5-15(6-4-12)10-13-7-9(11)8-14-10/h7-8H,2-6H2,1H3
InChIKeyRWWJGDJXUMUIGX-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 53.08
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-butyl-N-(2-chloroethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine (CID 63873646) is 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine is CCCCN(CCCl)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine?
The InChIKey is RWWJGDJXUMUIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3/c1-2-3-5-15(6-4-12)10-13-7-9(11)8-14-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine?
5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine has a molecular weight of 292.61 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine is sourced from PubChem (CID 63873646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).