5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine

C11H13BrN6 — CID 53466961

IUPAC5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCCC2)c1Br
InChIInChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16)
InChIKeyRZNYFNPNRHLKTG-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.61
Rot. Bonds2

About 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine

5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 53466961) has the molecular formula C11H13BrN6 and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID53466961
Molecular FormulaC11H13BrN6
Molecular Weight309.17 g/mol
Exact Mass308.04
IUPAC Name5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCCC2)c1Br
InChIInChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16)
InChIKeyRZNYFNPNRHLKTG-UHFFFAOYSA-N
XLogP1.61
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Taminadenant
CID 53466958
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53466962
5-Bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467179
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182
6-(Azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467183
5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467184
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187
5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467399
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-bromo-4-N-(cyclopropylmethyl)-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467625

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 53466961) is 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is Nc1nc(-n2cccn2)nc(N2CCCC2)c1Br.
What is the InChIKey of 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is RZNYFNPNRHLKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16).
What are the key properties of 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 309.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53466961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).