5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

C11H11BrN4 — CID 63873791

IUPAC5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCc2cccnc2)nc1
InChIInChI=1S/C11H11BrN4/c12-10-7-15-11(16-8-10)14-5-3-9-2-1-4-13-6-9/h1-2,4,6-8H,3,5H2,(H,14,15,16)
InChIKeyOKWALQWENUUUPD-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 63873791) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID63873791
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCc2cccnc2)nc1
InChIInChI=1S/C11H11BrN4/c12-10-7-15-11(16-8-10)14-5-3-9-2-1-4-13-6-9/h1-2,4,6-8H,3,5H2,(H,14,15,16)
InChIKeyOKWALQWENUUUPD-UHFFFAOYSA-N
XLogP2.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
3-bromo-4-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 114262038
4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169012
2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
N-(2-pyridin-3-ylethyl)-1,3-thiazol-2-amine
CID 60754112
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 104506472
N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
CID 82724326

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (CID 63873791) is 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is Brc1cnc(NCCc2cccnc2)nc1.
What is the InChIKey of 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is OKWALQWENUUUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-10-7-15-11(16-8-10)14-5-3-9-2-1-4-13-6-9/h1-2,4,6-8H,3,5H2,(H,14,15,16).
What are the key properties of 5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 279.14 g/mol, XLogP of 2.29, 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-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 63873791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).