6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine

C9H10BrN5 — CID 106195023

IUPAC6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
SMILESBrc1cc(NCCc2cnc[nH]2)ncn1
InChIInChI=1S/C9H10BrN5/c10-8-3-9(15-6-14-8)12-2-1-7-4-11-5-13-7/h3-6H,1-2H2,(H,11,13)(H,12,14,15)
InChIKeyFSOVFZILISTYPA-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.62
Rot. Bonds4

About 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine

6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106195023) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106195023
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
SMILESBrc1cc(NCCc2cnc[nH]2)ncn1
InChIInChI=1S/C9H10BrN5/c10-8-3-9(15-6-14-8)12-2-1-7-4-11-5-13-7/h3-6H,1-2H2,(H,11,13)(H,12,14,15)
InChIKeyFSOVFZILISTYPA-UHFFFAOYSA-N
XLogP1.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
CID 106195358
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79175854
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326106
N-[2-(1H-imidazol-5-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 10083717
N-[2-(1H-imidazol-5-yl)ethyl]pyridazin-3-amine
CID 65231842
6-bromo-N-but-3-enylpyrimidin-4-amine
CID 106196154
6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
CID 56711259
4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 106195043
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65232025
N-[2-(1H-imidazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65232549

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine (CID 106195023) is 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine is Brc1cc(NCCc2cnc[nH]2)ncn1.
What is the InChIKey of 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FSOVFZILISTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-8-3-9(15-6-14-8)12-2-1-7-4-11-5-13-7/h3-6H,1-2H2,(H,11,13)(H,12,14,15).
What are the key properties of 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine?
6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 268.12 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106195023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).