N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine

C11H18BrN3 — CID 80669848

IUPACN-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
SMILESCCCCN(CCBr)c1ncc(C)cn1
InChIInChI=1S/C11H18BrN3/c1-3-4-6-15(7-5-12)11-13-8-10(2)9-14-11/h8-9H,3-7H2,1-2H3
InChIKeyNGDRKKJRMSULGV-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.79
Rot. Bonds6

About N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine

N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine (PubChem CID 80669848) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
PubChem CID80669848
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
SMILESCCCCN(CCBr)c1ncc(C)cn1
InChIInChI=1S/C11H18BrN3/c1-3-4-6-15(7-5-12)11-13-8-10(2)9-14-11/h8-9H,3-7H2,1-2H3
InChIKeyNGDRKKJRMSULGV-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-ethyl-N-propylpyrimidin-2-amine
CID 71107630
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine
CID 63873646
N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine
CID 106550679
N-butyl-N,5-dipropylpyrimidin-2-amine
CID 71106875
N-(2-bromoethyl)-N-butyl-4-propoxypyrimidin-2-amine
CID 112639369
N-(2-bromoethyl)-N-butyl-4-methoxypyrimidin-2-amine
CID 80668756
5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
CID 80669398
N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine
CID 107205149
N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
CID 80674163
N'-(2-methoxyethyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63287741
N-(2-bromoethyl)-N-butyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203373

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine (CID 80669848) is N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine is CCCCN(CCBr)c1ncc(C)cn1.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine?
The InChIKey is NGDRKKJRMSULGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-4-6-15(7-5-12)11-13-8-10(2)9-14-11/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine?
N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80669848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).