N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine

C10H16BrN3 — CID 80671619

IUPACN-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCBr)Cc1ncccn1
InChIInChI=1S/C10H16BrN3/c1-9(2)14(7-4-11)8-10-12-5-3-6-13-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyQLNLLPZQNCUZNV-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.08
Rot. Bonds5

About N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine

N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine (PubChem CID 80671619) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
PubChem CID80671619
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCBr)Cc1ncccn1
InChIInChI=1S/C10H16BrN3/c1-9(2)14(7-4-11)8-10-12-5-3-6-13-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyQLNLLPZQNCUZNV-UHFFFAOYSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.08
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 N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine (CID 80671619) is N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine is CC(C)N(CCBr)Cc1ncccn1.
What is the InChIKey of N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
The InChIKey is QLNLLPZQNCUZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-9(2)14(7-4-11)8-10-12-5-3-6-13-10/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 80671619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).