5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine

C12H18BrN3O — CID 66299977

IUPAC5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2C)nc(COC)c1Br
InChIInChI=1S/C12H18BrN3O/c1-4-14-12-10(13)9(6-17-3)15-11(16-12)8-5-7(8)2/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyVGSBZFLYFPJHIB-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.94
Rot. Bonds5

About 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine

5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine (PubChem CID 66299977) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
PubChem CID66299977
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2C)nc(COC)c1Br
InChIInChI=1S/C12H18BrN3O/c1-4-14-12-10(13)9(6-17-3)15-11(16-12)8-5-7(8)2/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyVGSBZFLYFPJHIB-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
5-bromo-6-tert-butyl-N-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66306616
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-bromo-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299983
5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine
CID 66305161
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729723
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine (CID 66299977) is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine is CCNc1nc(C2CC2C)nc(COC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine?
The InChIKey is VGSBZFLYFPJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-4-14-12-10(13)9(6-17-3)15-11(16-12)8-5-7(8)2/h7-8H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine has a molecular weight of 300.20 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 66299977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).