5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine

C10H8BrN7 — CID 53466958

IUPAC5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
InChIKeyATFXVNUWQOXRRU-UHFFFAOYSA-N
MW306.13 g/mol
LogP1.19
Rot. Bonds2

About 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine

5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (PubChem CID 53466958) has the molecular formula C10H8BrN7 and a molecular weight of 306.13 g/mol. Its IUPAC name is 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
PubChem CID53466958
Molecular FormulaC10H8BrN7
Molecular Weight306.13 g/mol
Exact Mass305.00
IUPAC Name5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
InChIKeyATFXVNUWQOXRRU-UHFFFAOYSA-N
XLogP1.19
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (CID 53466958) is 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br.
What is the InChIKey of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is ATFXVNUWQOXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16).
What are the key properties of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 306.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 53466958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).