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

C10H16BrN3 — CID 80673540

IUPACN-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine
SMILESCCN(CCBr)c1cc(C)nc(C)n1
InChIInChI=1S/C10H16BrN3/c1-4-14(6-5-11)10-7-8(2)12-9(3)13-10/h7H,4-6H2,1-3H3
InChIKeyXRAOXCUINFOAQO-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.31
Rot. Bonds4

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

N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine (PubChem CID 80673540) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine
PubChem CID80673540
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine
SMILESCCN(CCBr)c1cc(C)nc(C)n1
InChIInChI=1S/C10H16BrN3/c1-4-14(6-5-11)10-7-8(2)12-9(3)13-10/h7H,4-6H2,1-3H3
InChIKeyXRAOXCUINFOAQO-UHFFFAOYSA-N
XLogP2.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.31
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'-(2,6-dimethylpyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63765131
N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
CID 80668097
4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80775488
2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 62481923
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 102998975
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909479
2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924103
N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 63287245
[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol
CID 102996011
N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 62593196

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine (CID 80673540) is N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine is CCN(CCBr)c1cc(C)nc(C)n1.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
The InChIKey is XRAOXCUINFOAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-4-14(6-5-11)10-7-8(2)12-9(3)13-10/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine has a molecular weight of 258.16 g/mol, XLogP of 2.31, 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-ethyl-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80673540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).