5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine

C9H16BrN5S — CID 80912407

IUPAC5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCC(C)CNc1nc(NN)ncc1Br
InChIInChI=1S/C9H16BrN5S/c1-6(5-16-2)3-12-8-7(10)4-13-9(14-8)15-11/h4,6H,3,5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyWGVBDXSRDTYSOP-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.94
Rot. Bonds6

About 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine (PubChem CID 80912407) has the molecular formula C9H16BrN5S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
PubChem CID80912407
Molecular FormulaC9H16BrN5S
Molecular Weight306.23 g/mol
Exact Mass305.03
IUPAC Name5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCC(C)CNc1nc(NN)ncc1Br
InChIInChI=1S/C9H16BrN5S/c1-6(5-16-2)3-12-8-7(10)4-13-9(14-8)15-11/h4,6H,3,5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyWGVBDXSRDTYSOP-UHFFFAOYSA-N
XLogP1.94
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.94
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-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
6-hydrazinyl-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913030
5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine
CID 80903174
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922898
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
CID 79556217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine (CID 80912407) is 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine is CSCC(C)CNc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
The InChIKey is WGVBDXSRDTYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5S/c1-6(5-16-2)3-12-8-7(10)4-13-9(14-8)15-11/h4,6H,3,5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine has a molecular weight of 306.23 g/mol, XLogP of 1.94, 6 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-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80912407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).