3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C11H12BrClN4O — CID 118452759

IUPAC3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NC[C@@H]2CCOC2)n2ncc(Br)c2n1
InChIInChI=1S/C11H12BrClN4O/c12-8-5-15-17-10(3-9(13)16-11(8)17)14-4-7-1-2-18-6-7/h3,5,7,14H,1-2,4,6H2/t7-/m0/s1
InChIKeyMLHZAYNXVPEKTD-ZETCQYMHSA-N
MW331.60 g/mol
LogP2.59
Rot. Bonds3

About 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 118452759) has the molecular formula C11H12BrClN4O and a molecular weight of 331.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID118452759
Molecular FormulaC11H12BrClN4O
Molecular Weight331.60 g/mol
Exact Mass329.99
IUPAC Name3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NC[C@@H]2CCOC2)n2ncc(Br)c2n1
InChIInChI=1S/C11H12BrClN4O/c12-8-5-15-17-10(3-9(13)16-11(8)17)14-4-7-1-2-18-6-7/h3,5,7,14H,1-2,4,6H2/t7-/m0/s1
InChIKeyMLHZAYNXVPEKTD-ZETCQYMHSA-N
XLogP2.59
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 144626386
3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118452773
2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide
CID 157027125
3-bromo-5-chloro-N-(3-propylhexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 90176158
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80936100
2-[3-bromo-7-[[1-(oxan-4-yl)piperidin-3-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 143441919
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
3-bromo-5-(2-chlorophenyl)-N-[(1-cyclobutylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066879
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
2-[3-bromo-7-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 143441416
4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide
CID 21066310
3-bromo-5-(2-chlorophenyl)-N-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066656

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 118452759) is 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NC[C@@H]2CCOC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MLHZAYNXVPEKTD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12BrClN4O/c12-8-5-15-17-10(3-9(13)16-11(8)17)14-4-7-1-2-18-6-7/h3,5,7,14H,1-2,4,6H2/t7-/m0/s1.
What are the key properties of 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 331.60 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 118452759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).