6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine

C8H10BrN7 — CID 123979081

IUPAC6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
SMILESCN(N)c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C8H10BrN7/c1-15(11)7-5(9)6(10)13-8(14-7)16-4-2-3-12-16/h2-4H,11H2,1H3,(H2,10,13,14)
InChIKeyHORULCKXEGTPLW-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.32
Rot. Bonds2

About 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine

6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 123979081) has the molecular formula C8H10BrN7 and a molecular weight of 284.12 g/mol. Its IUPAC name is 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
PubChem CID123979081
Molecular FormulaC8H10BrN7
Molecular Weight284.12 g/mol
Exact Mass283.02
IUPAC Name6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
SMILESCN(N)c1nc(-n2cccn2)nc(N)c1Br
InChIInChI=1S/C8H10BrN7/c1-15(11)7-5(9)6(10)13-8(14-7)16-4-2-3-12-16/h2-4H,11H2,1H3,(H2,10,13,14)
InChIKeyHORULCKXEGTPLW-UHFFFAOYSA-N
XLogP0.32
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine (CID 123979081) is 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine is CN(N)c1nc(-n2cccn2)nc(N)c1Br.
What is the InChIKey of 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is HORULCKXEGTPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN7/c1-15(11)7-5(9)6(10)13-8(14-7)16-4-2-3-12-16/h2-4H,11H2,1H3,(H2,10,13,14).
What are the key properties of 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 284.12 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 123979081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).