2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine

C8H10BrN3 — CID 115614740

IUPAC2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCc1cncnc1
InChIInChI=1S/C8H10BrN3/c1-7(9)2-10-3-8-4-11-6-12-5-8/h4-6,10H,1-3H2
InChIKeyYVRCVESQJPDYRI-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.47
Rot. Bonds4

About 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine

2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine (PubChem CID 115614740) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine
PubChem CID115614740
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCc1cncnc1
InChIInChI=1S/C8H10BrN3/c1-7(9)2-10-3-8-4-11-6-12-5-8/h4-6,10H,1-3H2
InChIKeyYVRCVESQJPDYRI-UHFFFAOYSA-N
XLogP1.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 60874327
2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine
CID 13430243
4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol
CID 115680068
1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760618
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
CID 62759524
2-methylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62997720
2-[(pyrimidin-5-ylmethylamino)methyl]phenol
CID 115607845
4-[(2-bromoprop-2-enylamino)methyl]-N,N-diethylaniline
CID 115614882
2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 60904501
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62759131
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine (CID 115614740) is 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine is C=C(Br)CNCc1cncnc1.
What is the InChIKey of 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine?
The InChIKey is YVRCVESQJPDYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-7(9)2-10-3-8-4-11-6-12-5-8/h4-6,10H,1-3H2.
What are the key properties of 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine?
2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine has a molecular weight of 228.09 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 115614740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).