5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

C11H13BrN6 — CID 80907398

IUPAC5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Br)c1cccnc1
InChIInChI=1S/C11H13BrN6/c1-7(8-3-2-4-14-5-8)16-10-9(12)6-15-11(17-10)18-13/h2-7H,13H2,1H3,(H2,15,16,17,18)
InChIKeyBFWWGNIOHDHJQV-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.09
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 80907398) has the molecular formula C11H13BrN6 and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID80907398
Molecular FormulaC11H13BrN6
Molecular Weight309.17 g/mol
Exact Mass308.04
IUPAC Name5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Br)c1cccnc1
InChIInChI=1S/C11H13BrN6/c1-7(8-3-2-4-14-5-8)16-10-9(12)6-15-11(17-10)18-13/h2-7H,13H2,1H3,(H2,15,16,17,18)
InChIKeyBFWWGNIOHDHJQV-UHFFFAOYSA-N
XLogP2.09
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80906692
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
3-bromo-5-nitro-N-[(1R)-1-pyridin-3-ylethyl]pyridin-2-amine
CID 124508261
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907034
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050
5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80779879
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
CID 81036306

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (CID 80907398) is 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is CC(Nc1nc(NN)ncc1Br)c1cccnc1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is BFWWGNIOHDHJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6/c1-7(8-3-2-4-14-5-8)16-10-9(12)6-15-11(17-10)18-13/h2-7H,13H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 309.17 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80907398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).