5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

C10H12BrN5S — CID 80907879

IUPAC5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(NN)ncc2Br)s1
InChIInChI=1S/C10H12BrN5S/c1-6-2-3-7(17-6)4-13-9-8(11)5-14-10(15-9)16-12/h2-3,5H,4,12H2,1H3,(H2,13,14,15,16)
InChIKeyBJFOTTPHPIFFAU-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.51
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80907879) has the molecular formula C10H12BrN5S and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID80907879
Molecular FormulaC10H12BrN5S
Molecular Weight314.21 g/mol
Exact Mass313.00
IUPAC Name5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(NN)ncc2Br)s1
InChIInChI=1S/C10H12BrN5S/c1-6-2-3-7(17-6)4-13-9-8(11)5-14-10(15-9)16-12/h2-3,5H,4,12H2,1H3,(H2,13,14,15,16)
InChIKeyBJFOTTPHPIFFAU-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80913534
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187
2-N-ethyl-5-fluoro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
CID 80817939
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 80908255
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 80907879) is 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is Cc1ccc(CNc2nc(NN)ncc2Br)s1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is BJFOTTPHPIFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5S/c1-6-2-3-7(17-6)4-13-9-8(11)5-14-10(15-9)16-12/h2-3,5H,4,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 314.21 g/mol, XLogP of 2.51, 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-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80907879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).