N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine

C11H14BrN5 — CID 83189565

IUPACN-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-n2cc(Br)cn2)nc1C
InChIInChI=1S/C11H14BrN5/c1-3-13-4-9-5-14-11(16-8(9)2)17-7-10(12)6-15-17/h5-7,13H,3-4H2,1-2H3
InChIKeyAOFXYTAAEPUOEC-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.84
Rot. Bonds4

About N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 83189565) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID83189565
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC NameN-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-n2cc(Br)cn2)nc1C
InChIInChI=1S/C11H14BrN5/c1-3-13-4-9-5-14-11(16-8(9)2)17-7-10(12)6-15-17/h5-7,13H,3-4H2,1-2H3
InChIKeyAOFXYTAAEPUOEC-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189716
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189340
N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83188803
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189794
2-(4-bromopyrazol-1-yl)-5-methylpyrimidine
CID 63206200
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]ethanamine
CID 61036315
N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83189031
N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
CID 83185167
N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83185179
N-[[4-methyl-2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185479
N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
CID 83185537

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 83189565) is N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-n2cc(Br)cn2)nc1C.
What is the InChIKey of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is AOFXYTAAEPUOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-3-13-4-9-5-14-11(16-8(9)2)17-7-10(12)6-15-17/h5-7,13H,3-4H2,1-2H3.
What are the key properties of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 296.17 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83189565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).