5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine

C9H13BrClN3O — CID 106999735

IUPAC5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(CCCl)c1ncc(Br)c(OC)n1
InChIInChI=1S/C9H13BrClN3O/c1-3-14(5-4-11)9-12-6-7(10)8(13-9)15-2/h6H,3-5H2,1-2H3
InChIKeyQUNCJUSMGNHUET-UHFFFAOYSA-N
MW294.58 g/mol
LogP2.31
Rot. Bonds5

About 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine

5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine (PubChem CID 106999735) has the molecular formula C9H13BrClN3O and a molecular weight of 294.58 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
PubChem CID106999735
Molecular FormulaC9H13BrClN3O
Molecular Weight294.58 g/mol
Exact Mass292.99
IUPAC Name5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(CCCl)c1ncc(Br)c(OC)n1
InChIInChI=1S/C9H13BrClN3O/c1-3-14(5-4-11)9-12-6-7(10)8(13-9)15-2/h6H,3-5H2,1-2H3
InChIKeyQUNCJUSMGNHUET-UHFFFAOYSA-N
XLogP2.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 52.31
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

5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617
5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 106998750
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
CID 115355694
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998192
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine (CID 106999735) is 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine is CCN(CCCl)c1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine?
The InChIKey is QUNCJUSMGNHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClN3O/c1-3-14(5-4-11)9-12-6-7(10)8(13-9)15-2/h6H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine?
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine has a molecular weight of 294.58 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106999735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).