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

C13H22BrN3O — CID 106998751

IUPAC5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H22BrN3O/c1-5-10(6-2)9-17(7-3)13-15-8-11(14)12(16-13)18-4/h8,10H,5-7,9H2,1-4H3
InChIKeyFQGHUDZKABODSY-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.51
Rot. Bonds7

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

5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine (PubChem CID 106998751) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
PubChem CID106998751
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H22BrN3O/c1-5-10(6-2)9-17(7-3)13-15-8-11(14)12(16-13)18-4/h8,10H,5-7,9H2,1-4H3
InChIKeyFQGHUDZKABODSY-UHFFFAOYSA-N
XLogP3.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
CID 63873425
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
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998192
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
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
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxypyridine-2,5-diamine
CID 43587823

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine (CID 106998751) is 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine is CCC(CC)CN(CC)c1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine?
The InChIKey is FQGHUDZKABODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-5-10(6-2)9-17(7-3)13-15-8-11(14)12(16-13)18-4/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine has a molecular weight of 316.24 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).