5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine

C8H11Br2N3O — CID 106999813

IUPAC5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)CCBr)ncc1Br
InChIInChI=1S/C8H11Br2N3O/c1-13(4-3-9)8-11-5-6(10)7(12-8)14-2/h5H,3-4H2,1-2H3
InChIKeyGHMHUVACZSZWCM-UHFFFAOYSA-N
MW325.00 g/mol
LogP2.08
Rot. Bonds4

About 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine

5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 106999813) has the molecular formula C8H11Br2N3O and a molecular weight of 325.00 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID106999813
Molecular FormulaC8H11Br2N3O
Molecular Weight325.00 g/mol
Exact Mass322.93
IUPAC Name5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)CCBr)ncc1Br
InChIInChI=1S/C8H11Br2N3O/c1-13(4-3-9)8-11-5-6(10)7(12-8)14-2/h5H,3-4H2,1-2H3
InChIKeyGHMHUVACZSZWCM-UHFFFAOYSA-N
XLogP2.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 106999636
1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 103872979
5-bromo-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998130
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 103745889
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106998870
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine (CID 106999813) is 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine is COc1nc(N(C)CCBr)ncc1Br.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is GHMHUVACZSZWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2N3O/c1-13(4-3-9)8-11-5-6(10)7(12-8)14-2/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine?
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 325.00 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 106999813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).