5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C12H16BrN5S — CID 80895899

IUPAC5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)N(Cc1cccs1)c1nc(NN)ncc1Br
InChIInChI=1S/C12H16BrN5S/c1-8(2)18(7-9-4-3-5-19-9)11-10(13)6-15-12(16-11)17-14/h3-6,8H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyIRQFLAXSUIZMEE-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80895899) has the molecular formula C12H16BrN5S and a molecular weight of 342.27 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80895899
Molecular FormulaC12H16BrN5S
Molecular Weight342.27 g/mol
Exact Mass341.03
IUPAC Name5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)N(Cc1cccs1)c1nc(NN)ncc1Br
InChIInChI=1S/C12H16BrN5S/c1-8(2)18(7-9-4-3-5-19-9)11-10(13)6-15-12(16-11)17-14/h3-6,8H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyIRQFLAXSUIZMEE-UHFFFAOYSA-N
XLogP3.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
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-N-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809500
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012
5-fluoro-2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907282
2-hydrazinyl-6-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896289
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
6-hydrazinyl-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896519
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80895899) is 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CC(C)N(Cc1cccs1)c1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is IRQFLAXSUIZMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5S/c1-8(2)18(7-9-4-3-5-19-9)11-10(13)6-15-12(16-11)17-14/h3-6,8H,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 342.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80895899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).