(3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

C12H16BrN5 — CID 103319584

IUPAC(3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2c(Br)c(C3CCNCC3)nn12
InChIInChI=1S/C12H16BrN5/c13-10-11(8-1-4-15-5-2-8)17-18-9(7-14)3-6-16-12(10)18/h3,6,8,15H,1-2,4-5,7,14H2
InChIKeySDRRBGLRZVXLLM-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.42
Rot. Bonds2

About (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

(3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 103319584) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID103319584
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name(3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2c(Br)c(C3CCNCC3)nn12
InChIInChI=1S/C12H16BrN5/c13-10-11(8-1-4-15-5-2-8)17-18-9(7-14)3-6-16-12(10)18/h3,6,8,15H,1-2,4-5,7,14H2
InChIKeySDRRBGLRZVXLLM-UHFFFAOYSA-N
XLogP1.42
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine
CID 103315377
3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 84711827
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
CID 66509746
(3-piperidin-4-yl-2-pyridinyl)methanamine
CID 152769821
4-bromo-2-piperidin-4-ylpyridine
CID 76848192
2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride
CID 105486108
(3-piperidin-4-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138198
(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103318377
4-(1,5-dimethylimidazol-4-yl)piperidine
CID 84657143
6-chloro-2-piperidin-4-ylpyridin-3-amine
CID 169253686

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 103319584) is (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is NCc1ccnc2c(Br)c(C3CCNCC3)nn12.
What is the InChIKey of (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is SDRRBGLRZVXLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c13-10-11(8-1-4-15-5-2-8)17-18-9(7-14)3-6-16-12(10)18/h3,6,8,15H,1-2,4-5,7,14H2.
What are the key properties of (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
(3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 310.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 103319584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).