5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine

C11H15BrN6 — CID 59427787

IUPAC5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N
InChIInChI=1S/C11H15BrN6/c1-6-9(14)18-11(8(12)4-15-18)16-10(6)17-3-2-7(13)5-17/h4,7H,2-3,5,13-14H2,1H3/t7-/m0/s1
InChIKeyCLELOTIUWKMTDZ-ZETCQYMHSA-N
MW311.19 g/mol
LogP0.92
Rot. Bonds1

About 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 59427787) has the molecular formula C11H15BrN6 and a molecular weight of 311.19 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID59427787
Molecular FormulaC11H15BrN6
Molecular Weight311.19 g/mol
Exact Mass310.05
IUPAC Name5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N
InChIInChI=1S/C11H15BrN6/c1-6-9(14)18-11(8(12)4-15-18)16-10(6)17-3-2-7(13)5-17/h4,7H,2-3,5,13-14H2,1H3/t7-/m0/s1
InChIKeyCLELOTIUWKMTDZ-ZETCQYMHSA-N
XLogP0.92
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 59427787) is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N.
What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CLELOTIUWKMTDZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15BrN6/c1-6-9(14)18-11(8(12)4-15-18)16-10(6)17-3-2-7(13)5-17/h4,7H,2-3,5,13-14H2,1H3/t7-/m0/s1.
What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 59427787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).