N-(2-bromoethyl)-6-methylpyrimidin-4-amine

C7H10BrN3 — CID 126848039

IUPACN-(2-bromoethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCBr)ncn1
InChIInChI=1S/C7H10BrN3/c1-6-4-7(9-3-2-8)11-5-10-6/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyNKPZCZWELNTKRN-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.59
Rot. Bonds3

About N-(2-bromoethyl)-6-methylpyrimidin-4-amine

N-(2-bromoethyl)-6-methylpyrimidin-4-amine (PubChem CID 126848039) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-methylpyrimidin-4-amine
PubChem CID126848039
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC NameN-(2-bromoethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCBr)ncn1
InChIInChI=1S/C7H10BrN3/c1-6-4-7(9-3-2-8)11-5-10-6/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyNKPZCZWELNTKRN-UHFFFAOYSA-N
XLogP1.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
1-methyl-2-(6-methylpyrimidin-4-yl)hydrazine
CID 119083381
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine
CID 75483789
N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126849106
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 133298580
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
N-[2-(2,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133299032

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-6-methylpyrimidin-4-amine (CID 126848039) is N-(2-bromoethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-6-methylpyrimidin-4-amine is Cc1cc(NCCBr)ncn1.
What is the InChIKey of N-(2-bromoethyl)-6-methylpyrimidin-4-amine?
The InChIKey is NKPZCZWELNTKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-6-4-7(9-3-2-8)11-5-10-6/h4-5H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-(2-bromoethyl)-6-methylpyrimidin-4-amine?
N-(2-bromoethyl)-6-methylpyrimidin-4-amine has a molecular weight of 216.08 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126848039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).