5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine

C11H16BrN3O — CID 103990682

IUPAC5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
SMILESBrc1cnc(NCCC2CCCCO2)nc1
InChIInChI=1S/C11H16BrN3O/c12-9-7-14-11(15-8-9)13-5-4-10-3-1-2-6-16-10/h7-8,10H,1-6H2,(H,13,14,15)
InChIKeyLASLUFOGLPGEMZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.61
Rot. Bonds4

About 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine

5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 103990682) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
PubChem CID103990682
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
SMILESBrc1cnc(NCCC2CCCCO2)nc1
InChIInChI=1S/C11H16BrN3O/c12-9-7-14-11(15-8-9)13-5-4-10-3-1-2-6-16-10/h7-8,10H,1-6H2,(H,13,14,15)
InChIKeyLASLUFOGLPGEMZ-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163343
N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine
CID 131907958
4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65467440
2-[3-[(5-bromopyrimidin-2-yl)amino]propyl]cyclohexan-1-ol
CID 133384881
6-chloro-N-[2-(oxan-2-yl)ethyl]pyrazin-2-amine
CID 103990689
N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103990755
5-iodo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754599
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
3-bromo-5-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975836
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine (CID 103990682) is 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine is Brc1cnc(NCCC2CCCCO2)nc1.
What is the InChIKey of 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is LASLUFOGLPGEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-9-7-14-11(15-8-9)13-5-4-10-3-1-2-6-16-10/h7-8,10H,1-6H2,(H,13,14,15).
What are the key properties of 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103990682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).