5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine

C11H18BrN3O — CID 80861907

IUPAC5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OC(C)(C)CC)n1
InChIInChI=1S/C11H18BrN3O/c1-5-11(3,4)16-9-8(12)7-14-10(15-9)13-6-2/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyMYJSPVFXIXFPNZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.24
Rot. Bonds5

About 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine

5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine (PubChem CID 80861907) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
PubChem CID80861907
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OC(C)(C)CC)n1
InChIInChI=1S/C11H18BrN3O/c1-5-11(3,4)16-9-8(12)7-14-10(15-9)13-6-2/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyMYJSPVFXIXFPNZ-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
CID 80861307
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
CID 80880390
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80864968
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
[5-fluoro-4-(2-methylbutan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80909725

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine (CID 80861907) is 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine is CCNc1ncc(Br)c(OC(C)(C)CC)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine?
The InChIKey is MYJSPVFXIXFPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-11(3,4)16-9-8(12)7-14-10(15-9)13-6-2/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine?
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine has a molecular weight of 288.19 g/mol, XLogP of 3.24, 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-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80861907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).