6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

C7H5BrN6O2 — CID 116798064

IUPAC6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(-n2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C7H5BrN6O2/c8-5-1-6(9)12-7(11-5)13-3-4(2-10-13)14(15)16/h1-3H,(H2,9,11,12)
InChIKeyHPRBRZTZQVFWBX-UHFFFAOYSA-N
MW285.06 g/mol
LogP0.92
Rot. Bonds2

About 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (PubChem CID 116798064) has the molecular formula C7H5BrN6O2 and a molecular weight of 285.06 g/mol. Its IUPAC name is 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
PubChem CID116798064
Molecular FormulaC7H5BrN6O2
Molecular Weight285.06 g/mol
Exact Mass283.97
IUPAC Name6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(-n2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C7H5BrN6O2/c8-5-1-6(9)12-7(11-5)13-3-4(2-10-13)14(15)16/h1-3H,(H2,9,11,12)
InChIKeyHPRBRZTZQVFWBX-UHFFFAOYSA-N
XLogP0.92
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
CID 71974226
4-nitro-1-phenylpyrazole
CID 2755894
5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 61373410
2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
CID 170551654
5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223
6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine
CID 116797883
N,N-dimethyl-4-(4-nitropyrazol-1-yl)aniline
CID 176615895
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
CID 7585705
ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 7585658
6-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 116796465
2-(4-nitropyrazol-1-yl)-1,3-benzoxazole
CID 71864654

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (CID 116798064) is 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is Nc1cc(Br)nc(-n2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is HPRBRZTZQVFWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN6O2/c8-5-1-6(9)12-7(11-5)13-3-4(2-10-13)14(15)16/h1-3H,(H2,9,11,12).
What are the key properties of 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 285.06 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 116798064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).