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

C10H12BrN5S — CID 80906692

IUPAC5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Br)c1cccs1
InChIInChI=1S/C10H12BrN5S/c1-6(8-3-2-4-17-8)14-9-7(11)5-13-10(15-9)16-12/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyKWSBPOMRNNFYIO-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.76
Rot. Bonds4

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

5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 80906692) has the molecular formula C10H12BrN5S and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID80906692
Molecular FormulaC10H12BrN5S
Molecular Weight314.21 g/mol
Exact Mass313.00
IUPAC Name5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Br)c1cccs1
InChIInChI=1S/C10H12BrN5S/c1-6(8-3-2-4-17-8)14-9-7(11)5-13-10(15-9)16-12/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyKWSBPOMRNNFYIO-UHFFFAOYSA-N
XLogP2.76
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.76
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-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 61227691
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
5-bromo-2-N-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800414
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80895899
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (CID 80906692) is 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is CC(Nc1nc(NN)ncc1Br)c1cccs1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is KWSBPOMRNNFYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5S/c1-6(8-3-2-4-17-8)14-9-7(11)5-13-10(15-9)16-12/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 314.21 g/mol, XLogP of 2.76, 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-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80906692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).