2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine

C9H14BrN3 — CID 83852742

IUPAC2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine
SMILESCC(C)c1cc(CCN)nc(Br)n1
InChIInChI=1S/C9H14BrN3/c1-6(2)8-5-7(3-4-11)12-9(10)13-8/h5-6H,3-4,11H2,1-2H3
InChIKeyRRQVTTBSMYXADI-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.86
Rot. Bonds3

About 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine

2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine (PubChem CID 83852742) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine
PubChem CID83852742
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine
SMILESCC(C)c1cc(CCN)nc(Br)n1
InChIInChI=1S/C9H14BrN3/c1-6(2)8-5-7(3-4-11)12-9(10)13-8/h5-6H,3-4,11H2,1-2H3
InChIKeyRRQVTTBSMYXADI-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)ethanamine
CID 83852748
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852863
2-(6-propan-2-yl-2-pyridinyl)ethanamine
CID 20823809
(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851945
3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine
CID 63318793
1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine
CID 55206431
(2-amino-6-propan-2-ylpyrimidin-4-yl)methanol
CID 68669560
2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine
CID 130056125
3-(2-aminoethyl)-7-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
CID 82472792
2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine
CID 82482372
2-bromo-4-methyl-6-propylpyrimidine
CID 116897203
2,4-dibromo-6-propan-2-ylpyridine
CID 66520791

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine (CID 83852742) is 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine is CC(C)c1cc(CCN)nc(Br)n1.
What is the InChIKey of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine?
The InChIKey is RRQVTTBSMYXADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-6(2)8-5-7(3-4-11)12-9(10)13-8/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine?
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine has a molecular weight of 244.14 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83852742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).