3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C11H13BrClN5 — CID 71200477

IUPAC3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1
InChIInChI=1S/C11H13BrClN5/c1-6-2-3-17(5-6)11-8(13)9(14)18-10(16-11)7(12)4-15-18/h4,6H,2-3,5,14H2,1H3/t6-/m1/s1
InChIKeyXIEPHFWRTCBLEY-ZCFIWIBFSA-N
MW330.62 g/mol
LogP2.57
Rot. Bonds1

About 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71200477) has the molecular formula C11H13BrClN5 and a molecular weight of 330.62 g/mol. Its IUPAC name is 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71200477
Molecular FormulaC11H13BrClN5
Molecular Weight330.62 g/mol
Exact Mass329.00
IUPAC Name3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1
InChIInChI=1S/C11H13BrClN5/c1-6-2-3-17(5-6)11-8(13)9(14)18-10(16-11)7(12)4-15-18/h4,6H,2-3,5,14H2,1H3/t6-/m1/s1
InChIKeyXIEPHFWRTCBLEY-ZCFIWIBFSA-N
XLogP2.57
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 71200477) is 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine is C[C@@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1.
What is the InChIKey of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XIEPHFWRTCBLEY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13BrClN5/c1-6-2-3-17(5-6)11-8(13)9(14)18-10(16-11)7(12)4-15-18/h4,6H,2-3,5,14H2,1H3/t6-/m1/s1.
What are the key properties of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.62 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71200477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).