5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

C11H12BrN5 — CID 80791970

IUPAC5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCCc2cccnc2)n1
InChIInChI=1S/C11H12BrN5/c12-9-7-16-11(13)17-10(9)15-5-3-8-2-1-4-14-6-8/h1-2,4,6-7H,3,5H2,(H3,13,15,16,17)
InChIKeyLRJGPXLKPGUPRG-UHFFFAOYSA-N
MW294.16 g/mol
LogP1.87
Rot. Bonds4

About 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80791970) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
PubChem CID80791970
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC Name5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCCc2cccnc2)n1
InChIInChI=1S/C11H12BrN5/c12-9-7-16-11(13)17-10(9)15-5-3-8-2-1-4-14-6-8/h1-2,4,6-7H,3,5H2,(H3,13,15,16,17)
InChIKeyLRJGPXLKPGUPRG-UHFFFAOYSA-N
XLogP1.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791275
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 104506472
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 63873791
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
CID 82239168
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (CID 80791970) is 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is Nc1ncc(Br)c(NCCc2cccnc2)n1.
What is the InChIKey of 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is LRJGPXLKPGUPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c12-9-7-16-11(13)17-10(9)15-5-3-8-2-1-4-14-6-8/h1-2,4,6-7H,3,5H2,(H3,13,15,16,17).
What are the key properties of 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 294.16 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80791970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).