N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine

C11H16BrN3 — CID 80668097

IUPACN-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(CCBr)C2CC2)nc(C)n1
InChIInChI=1S/C11H16BrN3/c1-8-7-11(14-9(2)13-8)15(6-5-12)10-3-4-10/h7,10H,3-6H2,1-2H3
InChIKeyPVLXJTCPLYXFLD-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.46
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine

N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine (PubChem CID 80668097) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
PubChem CID80668097
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(CCBr)C2CC2)nc(C)n1
InChIInChI=1S/C11H16BrN3/c1-8-7-11(14-9(2)13-8)15(6-5-12)10-3-4-10/h7,10H,3-6H2,1-2H3
InChIKeyPVLXJTCPLYXFLD-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.46
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-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
CID 102871699
4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79112273
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66214933
N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine
CID 80673540
6-chloro-N-cyclopropyl-N-ethyl-2-methylpyrimidin-4-amine
CID 62482724
4-N-cyclopropyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80821013
2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 61147636
N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 80667794
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80799717
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80808313
N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
CID 80667350

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine (CID 80668097) is N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine is Cc1cc(N(CCBr)C2CC2)nc(C)n1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine?
The InChIKey is PVLXJTCPLYXFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-7-11(14-9(2)13-8)15(6-5-12)10-3-4-10/h7,10H,3-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine?
N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine has a molecular weight of 270.17 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80668097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).