1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol

C11H13BrN6O — CID 53467397

IUPAC1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESNc1nc(-n2cccn2)nc(N2CCC(O)C2)c1Br
InChIInChI=1S/C11H13BrN6O/c12-8-9(13)15-11(18-4-1-3-14-18)16-10(8)17-5-2-7(19)6-17/h1,3-4,7,19H,2,5-6H2,(H2,13,15,16)
InChIKeyHNGSHLKUVYPQDS-UHFFFAOYSA-N
MW325.17 g/mol
LogP0.58
Rot. Bonds2

About 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol

1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 53467397) has the molecular formula C11H13BrN6O and a molecular weight of 325.17 g/mol. Its IUPAC name is 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID53467397
Molecular FormulaC11H13BrN6O
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESNc1nc(-n2cccn2)nc(N2CCC(O)C2)c1Br
InChIInChI=1S/C11H13BrN6O/c12-8-9(13)15-11(18-4-1-3-14-18)16-10(8)17-5-2-7(19)6-17/h1,3-4,7,19H,2,5-6H2,(H2,13,15,16)
InChIKeyHNGSHLKUVYPQDS-UHFFFAOYSA-N
XLogP0.58
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 53467397) is 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol is Nc1nc(-n2cccn2)nc(N2CCC(O)C2)c1Br.
What is the InChIKey of 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is HNGSHLKUVYPQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O/c12-8-9(13)15-11(18-4-1-3-14-18)16-10(8)17-5-2-7(19)6-17/h1,3-4,7,19H,2,5-6H2,(H2,13,15,16).
What are the key properties of 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 325.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 53467397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).